N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine

C11H21N — CID 116674089

IUPACN-(2-cyclopent-2-en-1-ylethyl)butan-2-amine
SMILESCCC(C)NCCC1C=CCC1
InChIInChI=1S/C11H21N/c1-3-10(2)12-9-8-11-6-4-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIOJHWTCCIOPQDK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds5

About N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine

N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine (PubChem CID 116674089) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopent-2-en-1-ylethyl)butan-2-amine
PubChem CID116674089
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(2-cyclopent-2-en-1-ylethyl)butan-2-amine
SMILESCCC(C)NCCC1C=CCC1
InChIInChI=1S/C11H21N/c1-3-10(2)12-9-8-11-6-4-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIOJHWTCCIOPQDK-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
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

(2R)-2-N-(2-cyclopent-2-en-1-ylethyl)propane-1,2-diamine
CID 104892260
2-(2-cyclopent-2-en-1-ylethylamino)propan-1-ol
CID 116674122
N-(2-cyclopent-2-en-1-ylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116674112
N-(2-cyclopent-2-en-1-ylethyl)-N',N'-diethylpropane-1,3-diamine
CID 116674196
(3S)-3-nonylcyclopentene
CID 90814175
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine
CID 155094502
3-(5-ethoxyheptyl)cyclopentene
CID 160888931
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine
CID 116674198
2-cyclohex-2-en-1-yl-N-iodoethanamine
CID 89307928
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine?
The IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine (CID 116674089) is N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine.
What is the SMILES notation for N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine?
The canonical SMILES for N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine is CCC(C)NCCC1C=CCC1.
What is the InChIKey of N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine?
The InChIKey is IOJHWTCCIOPQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10(2)12-9-8-11-6-4-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3.
What are the key properties of N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine?
N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine is sourced from PubChem (CID 116674089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).