(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride

C16H30Cl2N4O2 — CID 155941008

IUPAC(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
SMILESCCCN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-4-8-20(11-15-18-7-9-19(15)2)16(21)12-5-6-14(22-3)13(17)10-12;;/h7,9,12-14H,4-6,8,10-11,17H2,1-3H3;2*1H/t12-,13+,14+;;/m0../s1
InChIKeyHVWXANJSWKWBSU-BCIMQBNMSA-N
MW381.35 g/mol
LogP2.14
Rot. Bonds6

About (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride

(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride (PubChem CID 155941008) has the molecular formula C16H30Cl2N4O2 and a molecular weight of 381.35 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
PubChem CID155941008
Molecular FormulaC16H30Cl2N4O2
Molecular Weight381.35 g/mol
Exact Mass380.17
IUPAC Name(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
SMILESCCCN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-4-8-20(11-15-18-7-9-19(15)2)16(21)12-5-6-14(22-3)13(17)10-12;;/h7,9,12-14H,4-6,8,10-11,17H2,1-3H3;2*1H/t12-,13+,14+;;/m0../s1
InChIKeyHVWXANJSWKWBSU-BCIMQBNMSA-N
XLogP2.14
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-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-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63025830
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 170503266
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
CID 72902277
6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
CID 170503707

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride (CID 155941008) is (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride is CCCN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1.Cl.Cl.
What is the InChIKey of (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is HVWXANJSWKWBSU-BCIMQBNMSA-N. The full InChI is InChI=1S/C16H28N4O2.2ClH/c1-4-8-20(11-15-18-7-9-19(15)2)16(21)12-5-6-14(22-3)13(17)10-12;;/h7,9,12-14H,4-6,8,10-11,17H2,1-3H3;2*1H/t12-,13+,14+;;/m0../s1.
What are the key properties of (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride?
(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 381.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 155941008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).