N-(2-thiophen-3-ylethyl)hex-5-en-2-amine

C12H19NS — CID 104581649

IUPACN-(2-thiophen-3-ylethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1ccsc1
InChIInChI=1S/C12H19NS/c1-3-4-5-11(2)13-8-6-12-7-9-14-10-12/h3,7,9-11,13H,1,4-6,8H2,2H3
InChIKeyLSCLTLMMANUJMJ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.23
Rot. Bonds7

About N-(2-thiophen-3-ylethyl)hex-5-en-2-amine

N-(2-thiophen-3-ylethyl)hex-5-en-2-amine (PubChem CID 104581649) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)hex-5-en-2-amine
PubChem CID104581649
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(2-thiophen-3-ylethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1ccsc1
InChIInChI=1S/C12H19NS/c1-3-4-5-11(2)13-8-6-12-7-9-14-10-12/h3,7,9-11,13H,1,4-6,8H2,2H3
InChIKeyLSCLTLMMANUJMJ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-thiophen-3-ylethyl)hex-5-en-2-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

6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104582125
N-(2-thiophen-3-ylethyl)hept-6-en-1-amine
CID 107006689
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-chloro-4-methyl-N-(2-thiophen-3-ylethyl)pentan-3-amine
CID 106353903
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
3-hexadec-15-enylthiophene
CID 139794200
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)hex-5-en-2-amine?
The IUPAC name of N-(2-thiophen-3-ylethyl)hex-5-en-2-amine (CID 104581649) is N-(2-thiophen-3-ylethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)hex-5-en-2-amine?
The canonical SMILES for N-(2-thiophen-3-ylethyl)hex-5-en-2-amine is C=CCCC(C)NCCc1ccsc1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)hex-5-en-2-amine?
The InChIKey is LSCLTLMMANUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-4-5-11(2)13-8-6-12-7-9-14-10-12/h3,7,9-11,13H,1,4-6,8H2,2H3.
What are the key properties of N-(2-thiophen-3-ylethyl)hex-5-en-2-amine?
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)hex-5-en-2-amine is sourced from PubChem (CID 104581649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).