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

C12H23N — CID 103904430

IUPACN-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCC1=CCCC1
InChIInChI=1S/C12H23N/c1-3-6-11(2)13-10-9-12-7-4-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyAYTDBQRMXOCTTJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds6

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

N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine (PubChem CID 103904430) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
PubChem CID103904430
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCC1=CCCC1
InChIInChI=1S/C12H23N/c1-3-6-11(2)13-10-9-12-7-4-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyAYTDBQRMXOCTTJ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
CID 107886855
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
CID 115895860
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine (CID 103904430) is N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine is CCCC(C)NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine?
The InChIKey is AYTDBQRMXOCTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-6-11(2)13-10-9-12-7-4-5-8-12/h7,11,13H,3-6,8-10H2,1-2H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 103904430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).