1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine

C19H32N2 — CID 107449169

IUPAC1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-16(2)18-10-7-12-19(14-18,15-20)21(3)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15,20H2,1-3H3
InChIKeyOQOQBLXOKDQHDY-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.70
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449169) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449169
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-16(2)18-10-7-12-19(14-18,15-20)21(3)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15,20H2,1-3H3
InChIKeyOQOQBLXOKDQHDY-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-phenylethyl)cyclobutan-1-amine
CID 79521880
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937
1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006937
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
CID 107449072
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006551
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
CID 107449069
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine (CID 107449169) is 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(CN)(N(C)CCc2ccccc2)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is OQOQBLXOKDQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)18-10-7-12-19(14-18,15-20)21(3)13-11-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).