2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine

C18H36N2O — CID 79577334

IUPAC2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCN1CCCC(OCCC)C1
InChIInChI=1S/C18H36N2O/c1-3-11-19-18-9-5-7-16(18)10-13-20-12-6-8-17(15-20)21-14-4-2/h16-19H,3-15H2,1-2H3
InChIKeyOQTBDXWZIWHVSG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds9

About 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine

2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79577334) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
PubChem CID79577334
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCN1CCCC(OCCC)C1
InChIInChI=1S/C18H36N2O/c1-3-11-19-18-9-5-7-16(18)10-13-20-12-6-8-17(15-20)21-14-4-2/h16-19H,3-15H2,1-2H3
InChIKeyOQTBDXWZIWHVSG-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(3-methoxypiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 102965669
2-[2-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 102965459
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79566033
N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine
CID 79569939
2-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79565396
2-[2-(3-methoxypiperidin-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 102965677
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
2-[2-(4-methylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
CID 79572685
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 107392083
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine (CID 79577334) is 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCN1CCCC(OCCC)C1.
What is the InChIKey of 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is OQTBDXWZIWHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-11-19-18-9-5-7-16(18)10-13-20-12-6-8-17(15-20)21-14-4-2/h16-19H,3-15H2,1-2H3.
What are the key properties of 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79577334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).