N-[[1-(aminomethyl)cyclohexyl]methyl]aniline

C14H22N2 — CID 115438130

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]aniline
SMILESNCC1(CNc2ccccc2)CCCCC1
InChIInChI=1S/C14H22N2/c15-11-14(9-5-2-6-10-14)12-16-13-7-3-1-4-8-13/h1,3-4,7-8,16H,2,5-6,9-12,15H2
InChIKeyIOCQCJZUQXMSNM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.01
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]aniline

N-[[1-(aminomethyl)cyclohexyl]methyl]aniline (PubChem CID 115438130) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]aniline
PubChem CID115438130
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]aniline
SMILESNCC1(CNc2ccccc2)CCCCC1
InChIInChI=1S/C14H22N2/c15-11-14(9-5-2-6-10-14)12-16-13-7-3-1-4-8-13/h1,3-4,7-8,16H,2,5-6,9-12,15H2
InChIKeyIOCQCJZUQXMSNM-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[(1-aminocyclohexyl)methyl]aniline
CID 25079286
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-methylquinoxalin-2-amine
CID 103970448
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
CID 113295201
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
CID 113313720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]aniline?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]aniline (CID 115438130) is N-[[1-(aminomethyl)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]aniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]aniline is NCC1(CNc2ccccc2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]aniline?
The InChIKey is IOCQCJZUQXMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-11-14(9-5-2-6-10-14)12-16-13-7-3-1-4-8-13/h1,3-4,7-8,16H,2,5-6,9-12,15H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]aniline?
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]aniline is sourced from PubChem (CID 115438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).