(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride

C9H14ClNS — CID 171202347

IUPAC(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1ccc(C)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-6-5-7(2)11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1
InChIKeyXAMIXHLMUXKUQK-DDWIOCJRSA-N
MW203.74 g/mol
LogP3.05
Rot. Bonds3

About (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride

(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride (PubChem CID 171202347) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
PubChem CID171202347
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1ccc(C)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-6-5-7(2)11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1
InChIKeyXAMIXHLMUXKUQK-DDWIOCJRSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 53.05
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

3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
(1R)-1-(4-tert-butylphenyl)but-3-en-1-amine;hydrochloride
CID 171201850
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 130602082

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride (CID 171202347) is (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride is C=CC[C@@H](N)c1ccc(C)s1.Cl.
What is the InChIKey of (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The InChIKey is XAMIXHLMUXKUQK-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-6-5-7(2)11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171202347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).