4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide

C13H22N2OS — CID 115155557

IUPAC4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
SMILESCc1ccsc1C(C)(C)CNC(=O)CCCN
InChIInChI=1S/C13H22N2OS/c1-10-6-8-17-12(10)13(2,3)9-15-11(16)5-4-7-14/h6,8H,4-5,7,9,14H2,1-3H3,(H,15,16)
InChIKeyOQZBNFODYHHFCH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide

4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide (PubChem CID 115155557) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
PubChem CID115155557
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
SMILESCc1ccsc1C(C)(C)CNC(=O)CCCN
InChIInChI=1S/C13H22N2OS/c1-10-6-8-17-12(10)13(2,3)9-15-11(16)5-4-7-14/h6,8H,4-5,7,9,14H2,1-3H3,(H,15,16)
InChIKeyOQZBNFODYHHFCH-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
CID 119326927

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide (CID 115155557) is 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide is Cc1ccsc1C(C)(C)CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The InChIKey is OQZBNFODYHHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-6-8-17-12(10)13(2,3)9-15-11(16)5-4-7-14/h6,8H,4-5,7,9,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide is sourced from PubChem (CID 115155557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).