[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine

C16H32N2 — CID 64762341

IUPAC[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CC(C)CCC2C)CC1
InChIInChI=1S/C16H32N2/c1-4-15-7-9-18(10-8-15)16(12-17)11-13(2)5-6-14(16)3/h13-15H,4-12,17H2,1-3H3
InChIKeyCOPRORRSWZYOTH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

About [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine

[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine (PubChem CID 64762341) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
PubChem CID64762341
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CC(C)CCC2C)CC1
InChIInChI=1S/C16H32N2/c1-4-15-7-9-18(10-8-15)16(12-17)11-13(2)5-6-14(16)3/h13-15H,4-12,17H2,1-3H3
InChIKeyCOPRORRSWZYOTH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine (CID 64762341) is [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine is CCC1CCN(C2(CN)CC(C)CCC2C)CC1.
What is the InChIKey of [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine?
The InChIKey is COPRORRSWZYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15-7-9-18(10-8-15)16(12-17)11-13(2)5-6-14(16)3/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine?
[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64762341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).