N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine

C16H32N2 — CID 114125818

IUPACN-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine
SMILESCCC1(CNCCCC2CCCNC2)CCCC1
InChIInChI=1S/C16H32N2/c1-2-16(9-3-4-10-16)14-18-12-6-8-15-7-5-11-17-13-15/h15,17-18H,2-14H2,1H3
InChIKeyUOJUJZZZZXFPLU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.33
Rot. Bonds7

About N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine

N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine (PubChem CID 114125818) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine
PubChem CID114125818
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine
SMILESCCC1(CNCCCC2CCCNC2)CCCC1
InChIInChI=1S/C16H32N2/c1-2-16(9-3-4-10-16)14-18-12-6-8-15-7-5-11-17-13-15/h15,17-18H,2-14H2,1H3
InChIKeyUOJUJZZZZXFPLU-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxy)-N-[(3-ethylpiperidin-3-yl)methyl]propan-1-amine
CID 114098876
N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
2,3-dimethoxy-N-(3-piperidin-3-ylpropyl)propan-1-amine
CID 114100547
(3S)-3-heptylpiperidine
CID 155456188
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
1-ethyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119559587
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
CID 114100511
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine (CID 114125818) is N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine is CCC1(CNCCCC2CCCNC2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine?
The InChIKey is UOJUJZZZZXFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-16(9-3-4-10-16)14-18-12-6-8-15-7-5-11-17-13-15/h15,17-18H,2-14H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine?
N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-3-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 114125818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).