9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C13H22Cl2N2O — CID 120990322

IUPAC9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C13H21ClN2O.ClH/c1-8(14)7-16-13(17)11-5-9-3-2-4-10(6-11)12(9)15;/h9-12H,1-7,15H2,(H,16,17);1H
InChIKeyAPBWNCSWUAAFDB-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.43
Rot. Bonds3

About 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120990322) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120990322
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C13H21ClN2O.ClH/c1-8(14)7-16-13(17)11-5-9-3-2-4-10(6-11)12(9)15;/h9-12H,1-7,15H2,(H,16,17);1H
InChIKeyAPBWNCSWUAAFDB-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120990322) is 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is C=C(Cl)CNC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is APBWNCSWUAAFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O.ClH/c1-8(14)7-16-13(17)11-5-9-3-2-4-10(6-11)12(9)15;/h9-12H,1-7,15H2,(H,16,17);1H.
What are the key properties of 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120990322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).