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

C18H38N2 — CID 107449251

IUPAC1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C18H38N2/c1-13(2)16-8-7-9-18(10-16,12-19)20-11-17(14(3)4)15(5)6/h13-17,20H,7-12,19H2,1-6H3
InChIKeyXMTIQPCGHWJTMX-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.05
Rot. Bonds7

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

1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449251) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449251
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C18H38N2/c1-13(2)16-8-7-9-18(10-16,12-19)20-11-17(14(3)4)15(5)6/h13-17,20H,7-12,19H2,1-6H3
InChIKeyXMTIQPCGHWJTMX-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
CID 102912617
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145
1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912648
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449241
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 107449208
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-N-(2-cyclopropylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103563150
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine (CID 107449251) is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(CN)(NCC(C(C)C)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is XMTIQPCGHWJTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-13(2)16-8-7-9-18(10-16,12-19)20-11-17(14(3)4)15(5)6/h13-17,20H,7-12,19H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).