(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride

C8H15ClN2S — CID 171202338

IUPAC(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
SMILESCc1ccc([C@H](N)CCN)s1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-6-2-3-8(11-6)7(10)4-5-9;/h2-3,7H,4-5,9-10H2,1H3;1H/t7-;/m1./s1
InChIKeyXTUDZWRWLPPEGL-OGFXRTJISA-N
MW206.74 g/mol
LogP1.83
Rot. Bonds3

About (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride

(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride (PubChem CID 171202338) has the molecular formula C8H15ClN2S and a molecular weight of 206.74 g/mol. Its IUPAC name is (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
PubChem CID171202338
Molecular FormulaC8H15ClN2S
Molecular Weight206.74 g/mol
Exact Mass206.06
IUPAC Name(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
SMILESCc1ccc([C@H](N)CCN)s1.Cl
InChIInChI=1S/C8H14N2S.ClH/c1-6-2-3-8(11-6)7(10)4-5-9;/h2-3,7H,4-5,9-10H2,1H3;1H/t7-;/m1./s1
InChIKeyXTUDZWRWLPPEGL-OGFXRTJISA-N
XLogP1.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171221924
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
CID 62933991
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride (CID 171202338) is (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride is Cc1ccc([C@H](N)CCN)s1.Cl.
What is the InChIKey of (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is XTUDZWRWLPPEGL-OGFXRTJISA-N. The full InChI is InChI=1S/C8H14N2S.ClH/c1-6-2-3-8(11-6)7(10)4-5-9;/h2-3,7H,4-5,9-10H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride?
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 206.74 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171202338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).