2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C14H25N3OS — CID 79652724

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(C)Cc1cccs1)CC(C)(C)CN
InChIInChI=1S/C14H25N3OS/c1-14(2,10-15)11-16(3)9-13(18)17(4)8-12-6-5-7-19-12/h5-7H,8-11,15H2,1-4H3
InChIKeyCQAOHYVNCZRSJA-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.62
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 79652724) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID79652724
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(C)Cc1cccs1)CC(C)(C)CN
InChIInChI=1S/C14H25N3OS/c1-14(2,10-15)11-16(3)9-13(18)17(4)8-12-6-5-7-19-12/h5-7H,8-11,15H2,1-4H3
InChIKeyCQAOHYVNCZRSJA-UHFFFAOYSA-N
XLogP1.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 79667491
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 79652724) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)N(C)Cc1cccs1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CQAOHYVNCZRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,10-15)11-16(3)9-13(18)17(4)8-12-6-5-7-19-12/h5-7H,8-11,15H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 283.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 79652724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).