2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide

C12H27N3O — CID 82938261

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-12(3,4)14-11(16)8-13-10(2)9-15(5)6/h10,13H,7-9H2,1-6H3,(H,14,16)
InChIKeyKETZKDHBVNRLCA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.83
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide

2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 82938261) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID82938261
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-12(3,4)14-11(16)8-13-10(2)9-15(5)6/h10,13H,7-9H2,1-6H3,(H,14,16)
InChIKeyKETZKDHBVNRLCA-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61486133
2-(2,2-dimethylhydrazinyl)-N-(2-methylbutan-2-yl)acetamide
CID 83015090
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
CID 82938571
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 60672282
2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 55007733
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 18289341
N-(2-methylbutan-2-yl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60674187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide (CID 82938261) is 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNC(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is KETZKDHBVNRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-12(3,4)14-11(16)8-13-10(2)9-15(5)6/h10,13H,7-9H2,1-6H3,(H,14,16).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 82938261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).