3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride

C13H23ClN2OS — CID 120501636

IUPAC3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(C)N)Cc1cccs1.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-9(7-12-5-4-6-17-12)8-15-13(16)10(2)11(3)14;/h4-6,9-11H,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyOWNZYSNNWJMLRT-UHFFFAOYSA-N
MW290.86 g/mol
LogP2.45
Rot. Bonds6

About 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride

3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride (PubChem CID 120501636) has the molecular formula C13H23ClN2OS and a molecular weight of 290.86 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
PubChem CID120501636
Molecular FormulaC13H23ClN2OS
Molecular Weight290.86 g/mol
Exact Mass290.12
IUPAC Name3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(C)N)Cc1cccs1.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-9(7-12-5-4-6-17-12)8-15-13(16)10(2)11(3)14;/h4-6,9-11H,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyOWNZYSNNWJMLRT-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111507839
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
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CID 119138064
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516658
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride
CID 120501338
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 71990557

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride (CID 120501636) is 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride is CC(CNC(=O)C(C)C(C)N)Cc1cccs1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride?
The InChIKey is OWNZYSNNWJMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS.ClH/c1-9(7-12-5-4-6-17-12)8-15-13(16)10(2)11(3)14;/h4-6,9-11H,7-8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride?
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride has a molecular weight of 290.86 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 120501636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).