2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide

C9H21N3O — CID 115302668

IUPAC2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)CN(C)C
InChIInChI=1S/C9H21N3O/c1-8(5-10-2)6-11-9(13)7-12(3)4/h8,10H,5-7H2,1-4H3,(H,11,13)
InChIKeyTVISEKGEBDVVRB-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.48
Rot. Bonds6

About 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide

2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide (PubChem CID 115302668) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide
PubChem CID115302668
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)CN(C)C
InChIInChI=1S/C9H21N3O/c1-8(5-10-2)6-11-9(13)7-12(3)4/h8,10H,5-7H2,1-4H3,(H,11,13)
InChIKeyTVISEKGEBDVVRB-UHFFFAOYSA-N
XLogP-0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
N-[2-methyl-3-(methylamino)propyl]pentanamide
CID 81479545
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide
CID 170390778
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
ethane;N-(2-methylbutyl)propanamide
CID 177054062
2-[[2-(dimethylamino)acetyl]amino]acetamide
CID 14799394

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide (CID 115302668) is 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide is CNCC(C)CNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The InChIKey is TVISEKGEBDVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(5-10-2)6-11-9(13)7-12(3)4/h8,10H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide?
2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide has a molecular weight of 187.29 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide is sourced from PubChem (CID 115302668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).