6-thiophen-2-ylhex-1-en-3-amine

C10H15NS — CID 105161209

IUPAC6-thiophen-2-ylhex-1-en-3-amine
SMILESC=CC(N)CCCc1cccs1
InChIInChI=1S/C10H15NS/c1-2-9(11)5-3-6-10-7-4-8-12-10/h2,4,7-9H,1,3,5-6,11H2
InChIKeyFMJYDFAXRIYXMR-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.58
Rot. Bonds5

About 6-thiophen-2-ylhex-1-en-3-amine

6-thiophen-2-ylhex-1-en-3-amine (PubChem CID 105161209) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 6-thiophen-2-ylhex-1-en-3-amine.

Molecular Properties

Compound Name6-thiophen-2-ylhex-1-en-3-amine
PubChem CID105161209
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name6-thiophen-2-ylhex-1-en-3-amine
SMILESC=CC(N)CCCc1cccs1
InChIInChI=1S/C10H15NS/c1-2-9(11)5-3-6-10-7-4-8-12-10/h2,4,7-9H,1,3,5-6,11H2
InChIKeyFMJYDFAXRIYXMR-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-ethenyloct-7-enyl)thiophene
CID 68786861
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
7-thiophen-2-ylheptan-3-amine
CID 64505571
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
2-(3-ethynylpent-4-enyl)thiophene
CID 173422123
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylhex-1-en-3-amine?
The IUPAC name of 6-thiophen-2-ylhex-1-en-3-amine (CID 105161209) is 6-thiophen-2-ylhex-1-en-3-amine.
What is the SMILES notation for 6-thiophen-2-ylhex-1-en-3-amine?
The canonical SMILES for 6-thiophen-2-ylhex-1-en-3-amine is C=CC(N)CCCc1cccs1.
What is the InChIKey of 6-thiophen-2-ylhex-1-en-3-amine?
The InChIKey is FMJYDFAXRIYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-9(11)5-3-6-10-7-4-8-12-10/h2,4,7-9H,1,3,5-6,11H2.
What are the key properties of 6-thiophen-2-ylhex-1-en-3-amine?
6-thiophen-2-ylhex-1-en-3-amine has a molecular weight of 181.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylhex-1-en-3-amine is sourced from PubChem (CID 105161209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).