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

C9H14ClNS — CID 171203150

IUPAC(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1sccc1C.Cl
InChIInChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-7(2)5-6-11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1
InChIKeyGEUBYCKDIRAYPA-DDWIOCJRSA-N
MW203.74 g/mol
LogP3.05
Rot. Bonds3

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

(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride (PubChem CID 171203150) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
PubChem CID171203150
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1sccc1C.Cl
InChIInChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-7(2)5-6-11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1
InChIKeyGEUBYCKDIRAYPA-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

(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-iodothiophen-2-yl)but-3-en-1-amine
CID 130160724
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
CID 55274809
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride (CID 171203150) is (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride is C=CC[C@@H](N)c1sccc1C.Cl.
What is the InChIKey of (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
The InChIKey is GEUBYCKDIRAYPA-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-3-4-8(10)9-7(2)5-6-11-9;/h3,5-6,8H,1,4,10H2,2H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride?
(1R)-1-(3-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-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171203150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).