2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H36N2 — CID 64723017

IUPAC2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCCC(CC)C1
InChIInChI=1S/C18H36N2/c1-5-9-19-17-12-14(3)11-15(4)18(17)20-10-7-8-16(6-2)13-20/h14-19H,5-13H2,1-4H3
InChIKeyQIRYHDCYDQKGMP-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64723017) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64723017
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCCC(CC)C1
InChIInChI=1S/C18H36N2/c1-5-9-19-17-12-14(3)11-15(4)18(17)20-10-7-8-16(6-2)13-20/h14-19H,5-13H2,1-4H3
InChIKeyQIRYHDCYDQKGMP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
2-(3-ethylpiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64723014
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452258
2-(cyclohexylmethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753382
N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 64750791
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752539
2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751767
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
1-cyclopropyl-3-ethylpiperidine
CID 76560892

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64723017) is 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1N1CCCC(CC)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is QIRYHDCYDQKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-9-19-17-12-14(3)11-15(4)18(17)20-10-7-8-16(6-2)13-20/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64723017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).