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Chemical ID: 6680863
Chemical ID:
6680863
Name [?]:
N-benzyl-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1ccccc1
InChi [?]:
InChI=1/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,11,8,12,6,7,2,5/E:(1,2,3)(5,6)(7,8)/rA:12nCCCCNCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74536 |
Area: | 349.461 |
Solvation: | -0.99116 |
Coulombic: | -10.9027 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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