N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine

C16H32N2 — CID 55090112

IUPACN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCN2CCCC(C)C2C)CC1
InChIInChI=1S/C16H32N2/c1-13-6-8-16(9-7-13)17-10-12-18-11-4-5-14(2)15(18)3/h13-17H,4-12H2,1-3H3
InChIKeyOZBXLPDHQIEMFF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 55090112) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID55090112
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCN2CCCC(C)C2C)CC1
InChIInChI=1S/C16H32N2/c1-13-6-8-16(9-7-13)17-10-12-18-11-4-5-14(2)15(18)3/h13-17H,4-12H2,1-3H3
InChIKeyOZBXLPDHQIEMFF-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine (CID 55090112) is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCN2CCCC(C)C2C)CC1.
What is the InChIKey of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is OZBXLPDHQIEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-6-8-16(9-7-13)17-10-12-18-11-4-5-14(2)15(18)3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).