2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide

C12H22N4O — CID 119859030

IUPAC2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
SMILESCCCC(N)C(=O)NCC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-3-4-11(13)12(17)15-7-10(2)8-16-6-5-14-9-16/h5-6,9-11H,3-4,7-8,13H2,1-2H3,(H,15,17)
InChIKeyOHNLHASXLILODF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds7

About 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide

2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide (PubChem CID 119859030) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
PubChem CID119859030
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
SMILESCCCC(N)C(=O)NCC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-3-4-11(13)12(17)15-7-10(2)8-16-6-5-14-9-16/h5-6,9-11H,3-4,7-8,13H2,1-2H3,(H,15,17)
InChIKeyOHNLHASXLILODF-UHFFFAOYSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
1-imidazol-1-ylpentan-2-amine
CID 62041882
2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119859064
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide (CID 119859030) is 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide is CCCC(N)C(=O)NCC(C)Cn1ccnc1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide?
The InChIKey is OHNLHASXLILODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-11(13)12(17)15-7-10(2)8-16-6-5-14-9-16/h5-6,9-11H,3-4,7-8,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide?
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide has a molecular weight of 238.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide is sourced from PubChem (CID 119859030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).