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

C19H37N — CID 106173944

IUPACN-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCCC1=CCCC1
InChIInChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-13-17-20-18-16-19-14-11-12-15-19/h14,20H,2-13,15-18H2,1H3
InChIKeyNPGDFKPVLGRDOU-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.00
Rot. Bonds14

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

N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine (PubChem CID 106173944) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
PubChem CID106173944
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCCC1=CCCC1
InChIInChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-13-17-20-18-16-19-14-11-12-15-19/h14,20H,2-13,15-18H2,1H3
InChIKeyNPGDFKPVLGRDOU-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.00
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]hexan-1-amine
CID 106169004
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
1-octylcyclohexene
CID 519088
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
N-[2-(cyclopenten-1-yl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 106174186
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
CID 106174040
1-pentylcyclododecene
CID 150654776
1-(5-methyltridecyl)cyclopentene
CID 142058433

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine (CID 106173944) is N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine is CCCCCCCCCCCCNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine?
The InChIKey is NPGDFKPVLGRDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-13-17-20-18-16-19-14-11-12-15-19/h14,20H,2-13,15-18H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 6.00, 14 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]dodecan-1-amine is sourced from PubChem (CID 106173944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).