2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride

C13H26Cl2N4O — CID 119857824

IUPAC2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC(C)Cn1ccnc1C.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-4-5-12(14)13(18)16-8-10(2)9-17-7-6-15-11(17)3;;/h6-7,10,12H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyGQHRZLGSVQZGRM-UHFFFAOYSA-N
MW325.28 g/mol
LogP1.91
Rot. Bonds7

About 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride

2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride (PubChem CID 119857824) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
PubChem CID119857824
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC(C)Cn1ccnc1C.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-4-5-12(14)13(18)16-8-10(2)9-17-7-6-15-11(17)3;;/h6-7,10,12H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyGQHRZLGSVQZGRM-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride (CID 119857824) is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride is CCCC(N)C(=O)NCC(C)Cn1ccnc1C.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride?
The InChIKey is GQHRZLGSVQZGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-4-5-12(14)13(18)16-8-10(2)9-17-7-6-15-11(17)3;;/h6-7,10,12H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride?
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119857824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).