N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide

C13H22N2OS — CID 81484774

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(2)12(14)6-7-15(3)13(16)9-11-5-4-8-17-11/h4-5,8,10,12H,6-7,9,14H2,1-3H3
InChIKeyZHPICNUNMICGLL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide

N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 81484774) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide
PubChem CID81484774
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(2)12(14)6-7-15(3)13(16)9-11-5-4-8-17-11/h4-5,8,10,12H,6-7,9,14H2,1-3H3
InChIKeyZHPICNUNMICGLL-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide (CID 81484774) is N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide is CC(C)C(N)CCN(C)C(=O)Cc1cccs1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is ZHPICNUNMICGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)12(14)6-7-15(3)13(16)9-11-5-4-8-17-11/h4-5,8,10,12H,6-7,9,14H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 254.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 81484774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).