(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride

C11H21ClN2S — CID 171211731

IUPAC(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
SMILESCCc1ccc([C@H](N)CCCCN)s1.Cl
InChIInChI=1S/C11H20N2S.ClH/c1-2-9-6-7-11(14-9)10(13)5-3-4-8-12;/h6-7,10H,2-5,8,12-13H2,1H3;1H/t10-;/m1./s1
InChIKeyYNTTVUAISPBMCR-HNCPQSOCSA-N
MW248.82 g/mol
LogP2.86
Rot. Bonds6

About (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride

(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 171211731) has the molecular formula C11H21ClN2S and a molecular weight of 248.82 g/mol. Its IUPAC name is (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
PubChem CID171211731
Molecular FormulaC11H21ClN2S
Molecular Weight248.82 g/mol
Exact Mass248.11
IUPAC Name(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
SMILESCCc1ccc([C@H](N)CCCCN)s1.Cl
InChIInChI=1S/C11H20N2S.ClH/c1-2-9-6-7-11(14-9)10(13)5-3-4-8-12;/h6-7,10H,2-5,8,12-13H2,1H3;1H/t10-;/m1./s1
InChIKeyYNTTVUAISPBMCR-HNCPQSOCSA-N
XLogP2.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
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
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride (CID 171211731) is (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride is CCc1ccc([C@H](N)CCCCN)s1.Cl.
What is the InChIKey of (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is YNTTVUAISPBMCR-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H20N2S.ClH/c1-2-9-6-7-11(14-9)10(13)5-3-4-8-12;/h6-7,10H,2-5,8,12-13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride has a molecular weight of 248.82 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171211731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).