N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride

C12H24Cl2N4O — CID 119859023

IUPACN-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-11(9-16-7-6-14-10-16)8-15-12(17)4-3-5-13-2;;/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,15,17);2*1H
InChIKeyLRDSMSFJZVBMBJ-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.48
Rot. Bonds8

About N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride

N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119859023) has the molecular formula C12H24Cl2N4O and a molecular weight of 311.26 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
PubChem CID119859023
Molecular FormulaC12H24Cl2N4O
Molecular Weight311.26 g/mol
Exact Mass310.13
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C12H22N4O.2ClH/c1-11(9-16-7-6-14-10-16)8-15-12(17)4-3-5-13-2;;/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,15,17);2*1H
InChIKeyLRDSMSFJZVBMBJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride (CID 119859023) is N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCC(C)Cn1ccnc1.Cl.Cl.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is LRDSMSFJZVBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.2ClH/c1-11(9-16-7-6-14-10-16)8-15-12(17)4-3-5-13-2;;/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride?
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 311.26 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119859023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).