2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide

C13H22N4O — CID 63053675

IUPAC2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
SMILESCC(C)c1nccn1CCC(NC1CC1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-9(2)13-15-6-8-17(13)7-5-11(12(14)18)16-10-3-4-10/h6,8-11,16H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyXRFNWWDFYFQPRZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide

2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide (PubChem CID 63053675) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
PubChem CID63053675
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
SMILESCC(C)c1nccn1CCC(NC1CC1)C(N)=O
InChIInChI=1S/C13H22N4O/c1-9(2)13-15-6-8-17(13)7-5-11(12(14)18)16-10-3-4-10/h6,8-11,16H,3-5,7H2,1-2H3,(H2,14,18)
InChIKeyXRFNWWDFYFQPRZ-UHFFFAOYSA-N
XLogP1.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 63040700
2-(cyclopropylamino)-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanamide
CID 63053319
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921658
2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921265
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
CID 63039376

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide (CID 63053675) is 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide is CC(C)c1nccn1CCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The InChIKey is XRFNWWDFYFQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)13-15-6-8-17(13)7-5-11(12(14)18)16-10-3-4-10/h6,8-11,16H,3-5,7H2,1-2H3,(H2,14,18).
What are the key properties of 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide is sourced from PubChem (CID 63053675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).