1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine

C18H30N2 — CID 63487165

IUPAC1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCc1cc(C)cc(CN(C)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C18H30N2/c1-14-5-7-18(13-19,8-6-14)20(4)12-17-10-15(2)9-16(3)11-17/h9-11,14H,5-8,12-13,19H2,1-4H3
InChIKeyOJBDZWFZCZQOGE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.64
Rot. Bonds4

About 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 63487165) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID63487165
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCc1cc(C)cc(CN(C)C2(CN)CCC(C)CC2)c1
InChIInChI=1S/C18H30N2/c1-14-5-7-18(13-19,8-6-14)20(4)12-17-10-15(2)9-16(3)11-17/h9-11,14H,5-8,12-13,19H2,1-4H3
InChIKeyOJBDZWFZCZQOGE-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63487191
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006551
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60893094
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64747023
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-N,4-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588438

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 63487165) is 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine is Cc1cc(C)cc(CN(C)C2(CN)CCC(C)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is OJBDZWFZCZQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-5-7-18(13-19,8-6-14)20(4)12-17-10-15(2)9-16(3)11-17/h9-11,14H,5-8,12-13,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63487165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).