3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C13H25ClN2O — CID 119708504

IUPAC3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-8(2)7-15(3)13(16)11-9-4-5-10(6-9)12(11)14;/h8-12H,4-7,14H2,1-3H3;1H
InChIKeyRJYFQHDOICRYPV-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.90
Rot. Bonds3

About 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119708504) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119708504
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-8(2)7-15(3)13(16)11-9-4-5-10(6-9)12(11)14;/h8-12H,4-7,14H2,1-3H3;1H
InChIKeyRJYFQHDOICRYPV-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752879
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749079
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114236969
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807722
3-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119818597
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
CID 116580735
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766866
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119683098
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119708504) is 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(C)CN(C)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is RJYFQHDOICRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-8(2)7-15(3)13(16)11-9-4-5-10(6-9)12(11)14;/h8-12H,4-7,14H2,1-3H3;1H.
What are the key properties of 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119708504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).