1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 63467007

IUPAC1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)C2CCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)16-9-11-18(13-19,12-10-16)20(4)17-8-6-5-7-15(17)3/h14-17H,5-13,19H2,1-4H3
InChIKeyWDYPVPXKFHAXRE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63467007) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63467007
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)C2CCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)16-9-11-18(13-19,12-10-16)20(4)17-8-6-5-7-15(17)3/h14-17H,5-13,19H2,1-4H3
InChIKeyWDYPVPXKFHAXRE-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 103562769
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 79847113
1-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 63983309
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
CID 164650876

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine (CID 63467007) is 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(CN)(N(C)C2CCCCC2C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WDYPVPXKFHAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)16-9-11-18(13-19,12-10-16)20(4)17-8-6-5-7-15(17)3/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 4 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-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63467007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).