2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide

C10H18N4O — CID 115747411

IUPAC2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NCc1cnc[nH]1)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)9(10(15)11-3)13-5-8-4-12-6-14-8/h4,6-7,9,13H,5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyWAHQDIMISSGRQB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.27
Rot. Bonds5

About 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide

2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide (PubChem CID 115747411) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
PubChem CID115747411
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NCc1cnc[nH]1)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)9(10(15)11-3)13-5-8-4-12-6-14-8/h4,6-7,9,13H,5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyWAHQDIMISSGRQB-UHFFFAOYSA-N
XLogP0.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761601
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 21056271
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-[8-[[(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 122211207
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 112690595

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide?
The IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide (CID 115747411) is 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide is CNC(=O)C(NCc1cnc[nH]1)C(C)C.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide?
The InChIKey is WAHQDIMISSGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9(10(15)11-3)13-5-8-4-12-6-14-8/h4,6-7,9,13H,5H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide?
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 115747411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).