3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride

C12H24Cl2N4O — CID 120503214

IUPAC3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
SMILESCC(CNC(=O)C(C)C(C)N)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-9(7-16-5-4-14-8-16)6-15-12(17)10(2)11(3)13;;/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17);2*1H
InChIKeyRVGWCRGOMLCFAN-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.46
Rot. Bonds6

About 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride

3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride (PubChem CID 120503214) has the molecular formula C12H24Cl2N4O and a molecular weight of 311.26 g/mol. Its IUPAC name is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
PubChem CID120503214
Molecular FormulaC12H24Cl2N4O
Molecular Weight311.26 g/mol
Exact Mass310.13
IUPAC Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
SMILESCC(CNC(=O)C(C)C(C)N)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-9(7-16-5-4-14-8-16)6-15-12(17)10(2)11(3)13;;/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17);2*1H
InChIKeyRVGWCRGOMLCFAN-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859033
2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119859064
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
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
CID 95598107
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride (CID 120503214) is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride is CC(CNC(=O)C(C)C(C)N)Cn1ccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride?
The InChIKey is RVGWCRGOMLCFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.2ClH/c1-9(7-16-5-4-14-8-16)6-15-12(17)10(2)11(3)13;;/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride?
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride has a molecular weight of 311.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).