2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine

C16H32N2 — CID 79548793

IUPAC2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CC1CCCCN1)NC1CCCC(C)C1C
InChIInChI=1S/C16H32N2/c1-12-7-6-9-16(14(12)3)18-13(2)11-15-8-4-5-10-17-15/h12-18H,4-11H2,1-3H3
InChIKeyCNPHMWJIEGMIEZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.32
Rot. Bonds4

About 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine

2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 79548793) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID79548793
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CC1CCCCN1)NC1CCCC(C)C1C
InChIInChI=1S/C16H32N2/c1-12-7-6-9-16(14(12)3)18-13(2)11-15-8-4-5-10-17-15/h12-18H,4-11H2,1-3H3
InChIKeyCNPHMWJIEGMIEZ-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine (CID 79548793) is 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine is CC(CC1CCCCN1)NC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is CNPHMWJIEGMIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-7-6-9-16(14(12)3)18-13(2)11-15-8-4-5-10-17-15/h12-18H,4-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine?
2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79548793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).