1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine

C12H19NS — CID 105039697

IUPAC1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NS/c1-4-10-6-8-12(14-10)11(13)7-5-9(2)3/h6,8,11H,2,4-5,7,13H2,1,3H3
InChIKeyRQGZQBDHSKDNAL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.67
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine

1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine (PubChem CID 105039697) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
PubChem CID105039697
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NS/c1-4-10-6-8-12(14-10)11(13)7-5-9(2)3/h6,8,11H,2,4-5,7,13H2,1,3H3
InChIKeyRQGZQBDHSKDNAL-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.67
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

(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261
[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860644
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
[1-(5-ethylthiophen-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105319474
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine (CID 105039697) is 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine?
The InChIKey is RQGZQBDHSKDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-10-6-8-12(14-10)11(13)7-5-9(2)3/h6,8,11H,2,4-5,7,13H2,1,3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine?
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).