1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

C18H30N2 — CID 62006551

IUPAC1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-16-10-12-18(15-19,13-11-16)20(2)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15,19H2,1-2H3
InChIKeyQFYVWSMBMUUKMJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (PubChem CID 62006551) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
PubChem CID62006551
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-16-10-12-18(15-19,13-11-16)20(2)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15,19H2,1-2H3
InChIKeyQFYVWSMBMUUKMJ-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006937
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)cyclobutan-1-amine
CID 79521880
1-(aminomethyl)-N-butyl-N-methyl-4-phenylcyclohexan-1-amine
CID 29276937
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449169
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (CID 62006551) is 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is CC1CCC(CN)(N(C)CCCc2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The InChIKey is QFYVWSMBMUUKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-10-12-18(15-19,13-11-16)20(2)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 62006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).