2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine

C16H32N2 — CID 62616382

IUPAC2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCC(C)CC1C
InChIInChI=1S/C16H32N2/c1-4-17-16-8-6-5-7-15(16)12-18-10-9-13(2)11-14(18)3/h13-17H,4-12H2,1-3H3
InChIKeyACXCSBFNFLMBNT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine

2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine (PubChem CID 62616382) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
PubChem CID62616382
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCC(C)CC1C
InChIInChI=1S/C16H32N2/c1-4-17-16-8-6-5-7-15(16)12-18-10-9-13(2)11-14(18)3/h13-17H,4-12H2,1-3H3
InChIKeyACXCSBFNFLMBNT-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 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine (CID 62616382) is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
The InChIKey is ACXCSBFNFLMBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-17-16-8-6-5-7-15(16)12-18-10-9-13(2)11-14(18)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine?
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-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 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 62616382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).