9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C14H27ClN2O — CID 120983453

IUPAC9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-16(4-2)14(17)12-8-10-6-5-7-11(9-12)13(10)15;/h10-13H,3-9,15H2,1-2H3;1H
InChIKeyKLOSBNUCKPHNEW-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.43
Rot. Bonds3

About 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983453) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983453
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-16(4-2)14(17)12-8-10-6-5-7-11(9-12)13(10)15;/h10-13H,3-9,15H2,1-2H3;1H
InChIKeyKLOSBNUCKPHNEW-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride
CID 165429599
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983709
9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984807
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156

Frequently Asked Questions

What is the IUPAC name of 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983453) is 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is KLOSBNUCKPHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-16(4-2)14(17)12-8-10-6-5-7-11(9-12)13(10)15;/h10-13H,3-9,15H2,1-2H3;1H.
What are the key properties of 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).