3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C13H22N2OS — CID 64676730

IUPAC3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)(C)N)s1
InChIInChI=1S/C13H22N2OS/c1-9-6-7-11(17-9)10(2)15(5)12(16)8-13(3,4)14/h6-7,10H,8,14H2,1-5H3
InChIKeyNBTIEWZCPQQUBN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 64676730) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID64676730
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)(C)N)s1
InChIInChI=1S/C13H22N2OS/c1-9-6-7-11(17-9)10(2)15(5)12(16)8-13(3,4)14/h6-7,10H,8,14H2,1-5H3
InChIKeyNBTIEWZCPQQUBN-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl-[1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950012
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 54873112
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
tert-butyl N-[(2S)-1-[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95181597
2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 79527109

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 64676730) is 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is Cc1ccc(C(C)N(C)C(=O)CC(C)(C)N)s1.
What is the InChIKey of 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is NBTIEWZCPQQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-6-7-11(17-9)10(2)15(5)12(16)8-13(3,4)14/h6-7,10H,8,14H2,1-5H3.
What are the key properties of 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 64676730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).