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Chemical ID: 6689543
Chemical ID:
6689543
Name [?]:
N-benzyl-N-isopropyl-propan-2-amine
SMILES [?]:
CC(C)N(Cc1ccccc1)C(C)C
InChi [?]:
InChI=1/C13H21N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,9,8,10,7,11,5,2,12,6,4/E:(1,2,3,4)(6,7)(8,9)(11,12)/rA:14nCCCNCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37106 |
Area: | 377.512 |
Solvation: | -1.06674 |
Coulombic: | -7.37217 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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