1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine

C15H32N2 — CID 64745055

IUPAC1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC(C)C(C)N(C)C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C15H32N2/c1-11(2)14(5)17(6)15(10-16)8-7-12(3)13(4)9-15/h11-14H,7-10,16H2,1-6H3
InChIKeyONMCYJHUUJVXMX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.12
Rot. Bonds4

About 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 64745055) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID64745055
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC(C)C(C)N(C)C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C15H32N2/c1-11(2)14(5)17(6)15(10-16)8-7-12(3)13(4)9-15/h11-14H,7-10,16H2,1-6H3
InChIKeyONMCYJHUUJVXMX-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)cyclopropan-1-amine
CID 106661064
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744864
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 64746041
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64747023
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine (CID 64745055) is 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine is CC(C)C(C)N(C)C1(CN)CCC(C)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is ONMCYJHUUJVXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-11(2)14(5)17(6)15(10-16)8-7-12(3)13(4)9-15/h11-14H,7-10,16H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64745055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).