2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine

C17H33N — CID 79861175

IUPAC2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NC2CCCCC2(C)C)CC1
InChIInChI=1S/C17H33N/c1-13(2)14-8-10-15(11-9-14)18-16-7-5-6-12-17(16,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyRSPNHAHKACTWTB-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds3

About 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine

2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine (PubChem CID 79861175) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
PubChem CID79861175
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NC2CCCCC2(C)C)CC1
InChIInChI=1S/C17H33N/c1-13(2)14-8-10-15(11-9-14)18-16-7-5-6-12-17(16,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyRSPNHAHKACTWTB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine (CID 79861175) is 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine is CC(C)C1CCC(NC2CCCCC2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The InChIKey is RSPNHAHKACTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)14-8-10-15(11-9-14)18-16-7-5-6-12-17(16,3)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 79861175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).