N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine

C16H32N2O — CID 62563284

IUPACN-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
SMILESCCCOC1CCCN(CCCNC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-2-13-19-16-9-5-11-18(14-16)12-6-10-17-15-7-3-4-8-15/h15-17H,2-14H2,1H3
InChIKeyHOHBELIIIZFQTC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds8

About N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine

N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine (PubChem CID 62563284) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
PubChem CID62563284
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
SMILESCCCOC1CCCN(CCCNC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-2-13-19-16-9-5-11-18(14-16)12-6-10-17-15-7-3-4-8-15/h15-17H,2-14H2,1H3
InChIKeyHOHBELIIIZFQTC-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 62480120
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577334
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834260
N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine (CID 62563284) is N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine is CCCOC1CCCN(CCCNC2CCCC2)C1.
What is the InChIKey of N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine?
The InChIKey is HOHBELIIIZFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-13-19-16-9-5-11-18(14-16)12-6-10-17-15-7-3-4-8-15/h15-17H,2-14H2,1H3.
What are the key properties of N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine?
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 62563284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).