2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline

C16H26N2 — CID 62307780

IUPAC2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCc1ccc(CN)c(N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-10-13(2)7-8-14(16)11-17/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyHGUXIPJCYGKDGW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds3

About 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline

2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline (PubChem CID 62307780) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline
PubChem CID62307780
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCc1ccc(CN)c(N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-10-13(2)7-8-14(16)11-17/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyHGUXIPJCYGKDGW-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
CID 114016631
N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82733742
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
CID 62307923
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363
4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline (CID 62307780) is 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline is Cc1ccc(CN)c(N(C)C2CCCC(C)C2)c1.
What is the InChIKey of 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is HGUXIPJCYGKDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-10-13(2)7-8-14(16)11-17/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline?
2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 62307780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).