2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide

C13H22N4O — CID 62350813

IUPAC2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide
SMILESCc1ncn(CCC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)17(8-15-9)7-6-13(3,12(14)18)16-11-4-5-11/h8,11,16H,4-7H2,1-3H3,(H2,14,18)
InChIKeyYRWHNVAFXKOFTQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds6

About 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide

2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide (PubChem CID 62350813) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide
PubChem CID62350813
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide
SMILESCc1ncn(CCC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)17(8-15-9)7-6-13(3,12(14)18)16-11-4-5-11/h8,11,16H,4-7H2,1-3H3,(H2,14,18)
InChIKeyYRWHNVAFXKOFTQ-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
1-t-Butylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224503
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224543
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224553
1-t-Butylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224560
N-[2-(4,5-dimethylimidazol-1-yl)acetyl]propanamide
CID 23356763
4-(4,5-dimethylimidazol-1-yl)-N-propylbutanamide
CID 53688803
3-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 53700598
2-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylacetamide
CID 53776483
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide
CID 54003789
2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide
CID 54264805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide (CID 62350813) is 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide is Cc1ncn(CCC(C)(NC2CC2)C(N)=O)c1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide?
The InChIKey is YRWHNVAFXKOFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(2)17(8-15-9)7-6-13(3,12(14)18)16-11-4-5-11/h8,11,16H,4-7H2,1-3H3,(H2,14,18).
What are the key properties of 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide?
2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide has a molecular weight of 250.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide is sourced from PubChem (CID 62350813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).