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Chemical ID: 7109000
Chemical ID:
7109000
Name [?]:
N-[(4-isopropylphenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C15H25N/c1-4-5-6-11-16-12-14-7-9-15(10-8-14)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,3,4,9,13,10,12,5,7,14,8,11,6/E:(2,3)(7,8)(9,10)/rA:16nCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25N |
All Atoms: | 41 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5467 |
Area: | 463.773 |
Solvation: | -1.04757 |
Coulombic: | -12.1334 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 219.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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