3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride

C16H31Cl2N3O — CID 119892062

IUPAC3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C1CCCC(N)C1)C2.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeySQJRKQJSLWYZOD-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119892062) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119892062
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C1CCCC(N)C1)C2.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeySQJRKQJSLWYZOD-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472567
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868631
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-carboxamide
CID 65470856
3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119794937
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 19097464

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119892062) is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride is CN1C2CCCC1CC(NC(=O)C1CCCC(N)C1)C2.Cl.Cl.
What is the InChIKey of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is SQJRKQJSLWYZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119892062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).