4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C12H20N2OS — CID 60962681

IUPAC4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CCCN)s1
InChIInChI=1S/C12H20N2OS/c1-9-6-7-11(16-9)10(2)14(3)12(15)5-4-8-13/h6-7,10H,4-5,8,13H2,1-3H3
InChIKeyWAZZJRSGLNYRCL-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 60962681) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID60962681
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CCCN)s1
InChIInChI=1S/C12H20N2OS/c1-9-6-7-11(16-9)10(2)14(3)12(15)5-4-8-13/h6-7,10H,4-5,8,13H2,1-3H3
InChIKeyWAZZJRSGLNYRCL-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
2-methyl-4-[methyl-[1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950012
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 79527109
4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119892961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 60962681) is 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is Cc1ccc(C(C)N(C)C(=O)CCCN)s1.
What is the InChIKey of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is WAZZJRSGLNYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-6-7-11(16-9)10(2)14(3)12(15)5-4-8-13/h6-7,10H,4-5,8,13H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 60962681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).