1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine

C16H32N2 — CID 79396543

IUPAC1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCCC1CCC(N2CCC(NC)C(C)C2C)CC1
InChIInChI=1S/C16H32N2/c1-5-14-6-8-15(9-7-14)18-11-10-16(17-4)12(2)13(18)3/h12-17H,5-11H2,1-4H3
InChIKeyGJGZZCDEQNLBHA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine

1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79396543) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79396543
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCCC1CCC(N2CCC(NC)C(C)C2C)CC1
InChIInChI=1S/C16H32N2/c1-5-14-6-8-15(9-7-14)18-11-10-16(17-4)12(2)13(18)3/h12-17H,5-11H2,1-4H3
InChIKeyGJGZZCDEQNLBHA-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine (CID 79396543) is 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine is CCC1CCC(N2CCC(NC)C(C)C2C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is GJGZZCDEQNLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-14-6-8-15(9-7-14)18-11-10-16(17-4)12(2)13(18)3/h12-17H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine?
1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79396543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).