Chemical ID: 7108597

CC(C)(C)CC(C)(C)NCc1cccc(c1)[N+](=O)[O-]
Chemical ID:
7108597
Name [?]:
2,4,4-trimethyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H24N2O2/c1-14(2,3)11-15(4,5)16-10-12-7-6-8-13(9-12)17(18)19/h6-9,16H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,12,14,16,10,5,11,15,2,6,9,17,18,19/E:(1,2,3)(4,5)(18,19)/CRV:17.5/rA:19nCCCCCCCCNCCCCCCCN+OO-/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O2
All Atoms:43
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.52203
Area:464.758
Solvation:-6.09692
Coulombic:-22.916
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.363
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):3.99

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Descriptor Annotations

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