N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine

C14H21NO — CID 106169372

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccco1
InChIInChI=1S/C14H21NO/c1-2-13(14-8-5-11-16-14)15-10-9-12-6-3-4-7-12/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3
InChIKeyYQHBKLBYPDBFQF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 106169372) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID106169372
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccco1
InChIInChI=1S/C14H21NO/c1-2-13(14-8-5-11-16-14)15-10-9-12-6-3-4-7-12/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3
InChIKeyYQHBKLBYPDBFQF-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62633572
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 106169372) is N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(NCCC1=CCCC1)c1ccco1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is YQHBKLBYPDBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-13(14-8-5-11-16-14)15-10-9-12-6-3-4-7-12/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 106169372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).