(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride

C11H20ClNS — CID 171222736

IUPAC(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
SMILESCc1ccsc1[C@@H](N)CCC(C)C.Cl
InChIInChI=1S/C11H19NS.ClH/c1-8(2)4-5-10(12)11-9(3)6-7-13-11;/h6-8,10H,4-5,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeyXDZVXSXMFIFBCN-PPHPATTJSA-N
MW233.81 g/mol
LogP3.91
Rot. Bonds4

About (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride

(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride (PubChem CID 171222736) has the molecular formula C11H20ClNS and a molecular weight of 233.81 g/mol. Its IUPAC name is (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
PubChem CID171222736
Molecular FormulaC11H20ClNS
Molecular Weight233.81 g/mol
Exact Mass233.10
IUPAC Name(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
SMILESCc1ccsc1[C@@H](N)CCC(C)C.Cl
InChIInChI=1S/C11H19NS.ClH/c1-8(2)4-5-10(12)11-9(3)6-7-13-11;/h6-8,10H,4-5,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeyXDZVXSXMFIFBCN-PPHPATTJSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(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)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
(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
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride (CID 171222736) is (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride is Cc1ccsc1[C@@H](N)CCC(C)C.Cl.
What is the InChIKey of (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride?
The InChIKey is XDZVXSXMFIFBCN-PPHPATTJSA-N. The full InChI is InChI=1S/C11H19NS.ClH/c1-8(2)4-5-10(12)11-9(3)6-7-13-11;/h6-8,10H,4-5,12H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride?
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride has a molecular weight of 233.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).