N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine

C11H21N — CID 81395199

IUPACN-[(1S)-1-cyclopentylethyl]but-3-en-1-amine
SMILESC=CCCN[C@@H](C)C1CCCC1
InChIInChI=1S/C11H21N/c1-3-4-9-12-10(2)11-7-5-6-8-11/h3,10-12H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyFVJFGPZPFXJTAU-JTQLQIEISA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds5

About N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine

N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine (PubChem CID 81395199) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]but-3-en-1-amine
PubChem CID81395199
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(1S)-1-cyclopentylethyl]but-3-en-1-amine
SMILESC=CCCN[C@@H](C)C1CCCC1
InChIInChI=1S/C11H21N/c1-3-4-9-12-10(2)11-7-5-6-8-11/h3,10-12H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyFVJFGPZPFXJTAU-JTQLQIEISA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-(2-chloroethyl)-1-cyclohexylethanamine;hydrochloride
CID 173240168
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
CID 104929557
N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
1-cyclopentyl-N-ethylethanamine
CID 60819244
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine (CID 81395199) is N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine is C=CCCN[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine?
The InChIKey is FVJFGPZPFXJTAU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-9-12-10(2)11-7-5-6-8-11/h3,10-12H,1,4-9H2,2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]but-3-en-1-amine?
N-[(1S)-1-cyclopentylethyl]but-3-en-1-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-[(1S)-1-cyclopentylethyl]but-3-en-1-amine is sourced from PubChem (CID 81395199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).