2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H36N2 — CID 63468218

IUPAC2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(N2CCC(C)CC2C)C1
InChIInChI=1S/C18H36N2/c1-6-18(4,5)15-7-8-16(19)17(12-15)20-10-9-13(2)11-14(20)3/h13-17H,6-12,19H2,1-5H3
InChIKeyZGBLCXBPXAQRKB-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds3

About 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63468218) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63468218
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(N2CCC(C)CC2C)C1
InChIInChI=1S/C18H36N2/c1-6-18(4,5)15-7-8-16(19)17(12-15)20-10-9-13(2)11-14(20)3/h13-17H,6-12,19H2,1-5H3
InChIKeyZGBLCXBPXAQRKB-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63468218) is 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(N2CCC(C)CC2C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is ZGBLCXBPXAQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-18(4,5)15-7-8-16(19)17(12-15)20-10-9-13(2)11-14(20)3/h13-17H,6-12,19H2,1-5H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63468218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).