N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride

C15H27ClN2OS — CID 119668327

IUPACN-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-3-4-6-13(11-16)17-15(18)8-5-7-14-10-9-12(2)19-14;/h9-10,13H,3-8,11,16H2,1-2H3,(H,17,18);1H
InChIKeyXWHZGHGMJDLSFH-UHFFFAOYSA-N
MW318.91 g/mol
LogP3.43
Rot. Bonds9

About N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride (PubChem CID 119668327) has the molecular formula C15H27ClN2OS and a molecular weight of 318.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
PubChem CID119668327
Molecular FormulaC15H27ClN2OS
Molecular Weight318.91 g/mol
Exact Mass318.15
IUPAC NameN-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-3-4-6-13(11-16)17-15(18)8-5-7-14-10-9-12(2)19-14;/h9-10,13H,3-8,11,16H2,1-2H3,(H,17,18);1H
InChIKeyXWHZGHGMJDLSFH-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(5-methylthiophen-2-yl)butanoylamino]-5-phenylpentanoic acid
CID 120547335
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid
CID 119364370
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-octan-4-ylpentanamide
CID 91803774
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 119668833
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride (CID 119668327) is N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride is CCCCC(CN)NC(=O)CCCc1ccc(C)s1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The InChIKey is XWHZGHGMJDLSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS.ClH/c1-3-4-6-13(11-16)17-15(18)8-5-7-14-10-9-12(2)19-14;/h9-10,13H,3-8,11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride has a molecular weight of 318.91 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119668327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).