5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine

C12H23N — CID 79598587

IUPAC5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)CC1CCC1
InChIInChI=1S/C12H23N/c1-3-13-9-5-6-11(2)10-12-7-4-8-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyFROFHWFFIFLMAU-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds6

About 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine

5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79598587) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79598587
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)CC1CCC1
InChIInChI=1S/C12H23N/c1-3-13-9-5-6-11(2)10-12-7-4-8-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyFROFHWFFIFLMAU-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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'}

Analyze 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
[(E)-2-methylbut-2-enyl]cyclobutane
CID 57072568
(5-chloro-2-methylpent-2-enyl)cyclopropane
CID 79604228
N-ethyl-4-methylocta-3,7-dien-1-amine
CID 79599857
(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
CID 139304684
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732
N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
(10-cyclobutyl-5,5,9-trimethyldec-8-enyl)-ethyl-dimethylazanium
CID 123669456
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
methyl (5E,9E)-11-cyclohexyl-6,10-dimethyl-2-methylideneundeca-5,9-dienoate
CID 155213089

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine (CID 79598587) is 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)CC1CCC1.
What is the InChIKey of 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is FROFHWFFIFLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-13-9-5-6-11(2)10-12-7-4-8-12/h6,12-13H,3-5,7-10H2,1-2H3.
What are the key properties of 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine?
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79598587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).