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

C12H23N — CID 103096944

IUPACN-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1=CCCC1
InChIInChI=1S/C12H23N/c1-2-3-6-10-13-11-9-12-7-4-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyPRFZHNWOIVRXMA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds7

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

N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine (PubChem CID 103096944) 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-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
PubChem CID103096944
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCC1=CCCC1
InChIInChI=1S/C12H23N/c1-2-3-6-10-13-11-9-12-7-4-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyPRFZHNWOIVRXMA-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
CID 106174040
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine (CID 103096944) is N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine is CCCCCNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine?
The InChIKey is PRFZHNWOIVRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-6-10-13-11-9-12-7-4-5-8-12/h7,13H,2-6,8-11H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 7 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-1-amine is sourced from PubChem (CID 103096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).