2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide

C12H23N5O — CID 66163422

IUPAC2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
SMILESCC(C)n1cncc1C(NCCN(C)C)C(N)=O
InChIInChI=1S/C12H23N5O/c1-9(2)17-8-14-7-10(17)11(12(13)18)15-5-6-16(3)4/h7-9,11,15H,5-6H2,1-4H3,(H2,13,18)
InChIKeyVCMCRPKTLGYOPT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.14
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide

2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide (PubChem CID 66163422) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
PubChem CID66163422
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
SMILESCC(C)n1cncc1C(NCCN(C)C)C(N)=O
InChIInChI=1S/C12H23N5O/c1-9(2)17-8-14-7-10(17)11(12(13)18)15-5-6-16(3)4/h7-9,11,15H,5-6H2,1-4H3,(H2,13,18)
InChIKeyVCMCRPKTLGYOPT-UHFFFAOYSA-N
XLogP0.14
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-4-yl)acetamide
CID 14742544
5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
CID 57402509
Aminobutyrylhistamine
CID 15234234
Alanylhistamine
CID 18604755
N-acetyl-3-methylhistamine
CID 53946677
[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 57120809
N-(2-(1-Methyl-1H-imidazol-4-yl)ethyl)acetamide
CID 58503611
g-Aminobutyrylhistamine
CID 129783465
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 60312126
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
N~2~-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-N~2~-methylglycinamide
CID 91829844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide (CID 66163422) is 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide is CC(C)n1cncc1C(NCCN(C)C)C(N)=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The InChIKey is VCMCRPKTLGYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)17-8-14-7-10(17)11(12(13)18)15-5-6-16(3)4/h7-9,11,15H,5-6H2,1-4H3,(H2,13,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide?
2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide is sourced from PubChem (CID 66163422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).