1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine

C16H32N2 — CID 107449145

IUPAC1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(NC2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)14-7-6-10-16(11-14,12-17)18-15-8-4-3-5-9-15/h13-15,18H,3-12,17H2,1-2H3
InChIKeyITLSPUPSDQLMKR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.45
Rot. Bonds4

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

1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449145) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449145
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(CN)(NC2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)14-7-6-10-16(11-14,12-17)18-15-8-4-3-5-9-15/h13-15,18H,3-12,17H2,1-2H3
InChIKeyITLSPUPSDQLMKR-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopentylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450338
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449241
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 107449208
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
3-(aminomethyl)-N-cyclohexylpiperidin-3-amine
CID 105465481

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine (CID 107449145) is 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(CN)(NC2CCCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is ITLSPUPSDQLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)14-7-6-10-16(11-14,12-17)18-15-8-4-3-5-9-15/h13-15,18H,3-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).