N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride

C13H23ClN2OS — CID 119433722

IUPACN-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-11-7-8-12(17-11)5-3-6-13(16)15-10-4-9-14-2;/h7-8,14H,3-6,9-10H2,1-2H3,(H,15,16);1H
InChIKeyIJOKUMJBCDBPJN-UHFFFAOYSA-N
MW290.86 g/mol
LogP2.53
Rot. Bonds8

About N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride

N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride (PubChem CID 119433722) has the molecular formula C13H23ClN2OS and a molecular weight of 290.86 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
PubChem CID119433722
Molecular FormulaC13H23ClN2OS
Molecular Weight290.86 g/mol
Exact Mass290.12
IUPAC NameN-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-11-7-8-12(17-11)5-3-6-13(16)15-10-4-9-14-2;/h7-8,14H,3-6,9-10H2,1-2H3,(H,15,16);1H
InChIKeyIJOKUMJBCDBPJN-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 52.53
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

4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
1-chloro-5-(5-methylthiophen-2-yl)pentan-2-one
CID 122630077
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119668327
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride (CID 119433722) is N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride is CNCCCNC(=O)CCCc1ccc(C)s1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
The InChIKey is IJOKUMJBCDBPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS.ClH/c1-11-7-8-12(17-11)5-3-6-13(16)15-10-4-9-14-2;/h7-8,14H,3-6,9-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride?
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride has a molecular weight of 290.86 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119433722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).