2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide

C12H20N4O — CID 63919890

IUPAC2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
SMILESCCCNC(Cn1ccnc1)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4O/c1-2-5-15-12(11(13)17,10-3-4-10)8-16-7-6-14-9-16/h6-7,9-10,15H,2-5,8H2,1H3,(H2,13,17)
InChIKeyITBFIVSYGMSVNC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds7

About 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide

2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide (PubChem CID 63919890) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
PubChem CID63919890
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
SMILESCCCNC(Cn1ccnc1)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4O/c1-2-5-15-12(11(13)17,10-3-4-10)8-16-7-6-14-9-16/h6-7,9-10,15H,2-5,8H2,1H3,(H2,13,17)
InChIKeyITBFIVSYGMSVNC-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
CID 63920086
2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
CID 63919889
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
CID 83221829
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
CID 63921435
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62448136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide (CID 63919890) is 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide is CCCNC(Cn1ccnc1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide?
The InChIKey is ITBFIVSYGMSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-15-12(11(13)17,10-3-4-10)8-16-7-6-14-9-16/h6-7,9-10,15H,2-5,8H2,1H3,(H2,13,17).
What are the key properties of 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide?
2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide is sourced from PubChem (CID 63919890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).