(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride

C10H18ClNS — CID 171211735

IUPAC(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(CC)s1.Cl
InChIInChI=1S/C10H17NS.ClH/c1-3-5-9(11)10-7-6-8(4-2)12-10;/h6-7,9H,3-5,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyYTHYPEPNRVYVDF-SBSPUUFOSA-N
MW219.78 g/mol
LogP3.53
Rot. Bonds4

About (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride

(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride (PubChem CID 171211735) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
PubChem CID171211735
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(CC)s1.Cl
InChIInChI=1S/C10H17NS.ClH/c1-3-5-9(11)10-7-6-8(4-2)12-10;/h6-7,9H,3-5,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyYTHYPEPNRVYVDF-SBSPUUFOSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860644
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride (CID 171211735) is (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(CC)s1.Cl.
What is the InChIKey of (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride?
The InChIKey is YTHYPEPNRVYVDF-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H17NS.ClH/c1-3-5-9(11)10-7-6-8(4-2)12-10;/h6-7,9H,3-5,11H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride?
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride has a molecular weight of 219.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171211735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).