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

C12H24Cl2N4O — CID 119857880

IUPAC4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
SMILESCc1nccn1CC(C)CNC(=O)CCCN.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-10(8-15-12(17)4-3-5-13)9-16-7-6-14-11(16)2;;/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17);2*1H
InChIKeyBMCRTRMQZLPPHO-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.53
Rot. Bonds7

About 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride

4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride (PubChem CID 119857880) has the molecular formula C12H24Cl2N4O and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
PubChem CID119857880
Molecular FormulaC12H24Cl2N4O
Molecular Weight311.26 g/mol
Exact Mass310.13
IUPAC Name4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
SMILESCc1nccn1CC(C)CNC(=O)CCCN.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-10(8-15-12(17)4-3-5-13)9-16-7-6-14-11(16)2;;/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17);2*1H
InChIKeyBMCRTRMQZLPPHO-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 94159666
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
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
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride (CID 119857880) is 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride is Cc1nccn1CC(C)CNC(=O)CCCN.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The InChIKey is BMCRTRMQZLPPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.2ClH/c1-10(8-15-12(17)4-3-5-13)9-16-7-6-14-11(16)2;;/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride has a molecular weight of 311.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119857880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).