2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide

C9H21N3O — CID 60693907

IUPAC2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(C)(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-9(2,12(4)5)7-11-6-8(13)10-3/h11H,6-7H2,1-5H3,(H,10,13)
InChIKeyISENPPTWMZVVCK-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.34
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide

2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide (PubChem CID 60693907) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
PubChem CID60693907
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(C)(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-9(2,12(4)5)7-11-6-8(13)10-3/h11H,6-7H2,1-5H3,(H,10,13)
InChIKeyISENPPTWMZVVCK-UHFFFAOYSA-N
XLogP-0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide (CID 60693907) is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide is CNC(=O)CNCC(C)(C)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide?
The InChIKey is ISENPPTWMZVVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,12(4)5)7-11-6-8(13)10-3/h11H,6-7H2,1-5H3,(H,10,13).
What are the key properties of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide?
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide has a molecular weight of 187.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide is sourced from PubChem (CID 60693907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).