2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine

C9H15NS — CID 23567364

IUPAC2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCC(CN)C1CC=CS1
InChIInChI=1S/C9H15NS/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,6,8-9H,1,4-5,7,10H2
InChIKeyCYEXRBFIHGBQCD-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.16
Rot. Bonds4

About 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine

2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine (PubChem CID 23567364) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine
PubChem CID23567364
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCC(CN)C1CC=CS1
InChIInChI=1S/C9H15NS/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,6,8-9H,1,4-5,7,10H2
InChIKeyCYEXRBFIHGBQCD-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydrothiophen-2-yl)pent-4-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

(2-propyl-3H-thiophen-2-yl)methanamine
CID 57030913
Cyclopropyl(2,3-dihydrothiophen-3-yl)methanamine
CID 68229889
2-(2-methyl-3H-thiophen-2-yl)ethanamine
CID 68810050
2-(2-ethyl-3H-thiophen-2-yl)ethanamine
CID 68810150
2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
CID 68810770
2-(2,3-Dihydrothiophen-3-yl)ethanamine
CID 89018226
1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
Cyclopropyl(2,3-dihydrothiophen-2-yl)methanamine
CID 89246169
2-(2-decyl-3H-thiophen-2-yl)ethanamine
CID 122657118
2-Methyl-4-methylsulfanylhex-5-en-1-amine
CID 146259136
1-(Thiolan-3-yl)but-3-en-1-amine
CID 105108473
1-(Thiolan-3-yl)pent-4-en-1-amine
CID 105153513

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine (CID 23567364) is 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine is C=CCC(CN)C1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine?
The InChIKey is CYEXRBFIHGBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,6,8-9H,1,4-5,7,10H2.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine?
2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 23567364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).