2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline

C16H26N2 — CID 61444227

IUPAC2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(C)C1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18(3)11-14-7-5-9-16(17)13(14)2/h5,7,9,12,15H,4,6,8,10-11,17H2,1-3H3
InChIKeyHPDQSJVURAQKDC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline

2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline (PubChem CID 61444227) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
PubChem CID61444227
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
SMILESCc1c(N)cccc1CN(C)C1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18(3)11-14-7-5-9-16(17)13(14)2/h5,7,9,12,15H,4,6,8,10-11,17H2,1-3H3
InChIKeyHPDQSJVURAQKDC-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 61439450
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646
2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61448079
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 62472047
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61443699
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 61444590
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
CID 104824298
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
3-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methylaniline
CID 78973865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline (CID 61444227) is 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline is Cc1c(N)cccc1CN(C)C1CCCC(C)C1.
What is the InChIKey of 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is HPDQSJVURAQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-4-8-15(10-12)18(3)11-14-7-5-9-16(17)13(14)2/h5,7,9,12,15H,4,6,8,10-11,17H2,1-3H3.
What are the key properties of 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 61444227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).