N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline

C16H26N2 — CID 65378408

IUPACN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(CN)CCCC(C)C2C)c1
InChIInChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18-16(11-17)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,18H,5,7,9,11,17H2,1-3H3
InChIKeyNJLDVBCTBRBOPH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline

N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline (PubChem CID 65378408) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
PubChem CID65378408
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(CN)CCCC(C)C2C)c1
InChIInChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18-16(11-17)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,18H,5,7,9,11,17H2,1-3H3
InChIKeyNJLDVBCTBRBOPH-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-methylaniline
CID 81321624
ethyl 2,3-dimethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64754340
1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
CID 65194136
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
CID 106872574
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
CID 64756452
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline (CID 65378408) is N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline is Cc1cccc(NC2(CN)CCCC(C)C2C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline?
The InChIKey is NJLDVBCTBRBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18-16(11-17)9-5-7-13(2)14(16)3/h4,6,8,10,13-14,18H,5,7,9,11,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline?
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline is sourced from PubChem (CID 65378408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).