3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C15H26Cl2N4O — CID 119859033

IUPAC3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1C2CCC(C2)C1N)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-10(8-19-5-4-17-9-19)7-18-15(20)13-11-2-3-12(6-11)14(13)16;;/h4-5,9-14H,2-3,6-8,16H2,1H3,(H,18,20);2*1H
InChIKeyXKDIWPQGDSVMKQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119859033) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119859033
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1C2CCC(C2)C1N)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-10(8-19-5-4-17-9-19)7-18-15(20)13-11-2-3-12(6-11)14(13)16;;/h4-5,9-14H,2-3,6-8,16H2,1H3,(H,18,20);2*1H
InChIKeyXKDIWPQGDSVMKQ-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;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

3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119892617
trans-(1R,2R)-N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124740368
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
(1S,2R,3R,4S)-3-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716070
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119804174
N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
CID 115652890

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119859033) is 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CC(CNC(=O)C1C2CCC(C2)C1N)Cn1ccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is XKDIWPQGDSVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c1-10(8-19-5-4-17-9-19)7-18-15(20)13-11-2-3-12(6-11)14(13)16;;/h4-5,9-14H,2-3,6-8,16H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 1.85, 5 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)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119859033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).