9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H29ClN2O — CID 120983152

IUPAC9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-21(13-14-7-4-3-5-8-14)19(22)17-11-15-9-6-10-16(12-17)18(15)20;/h3-5,7-8,15-18H,2,6,9-13,20H2,1H3;1H
InChIKeyWYPFUMHRWOTCJG-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.61
Rot. Bonds4

About 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983152) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983152
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-21(13-14-7-4-3-5-8-14)19(22)17-11-15-9-6-10-16(12-17)18(15)20;/h3-5,7-8,15-18H,2,6,9-13,20H2,1H3;1H
InChIKeyWYPFUMHRWOTCJG-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983709
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990447
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983152) is 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCN(Cc1ccccc1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is WYPFUMHRWOTCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-21(13-14-7-4-3-5-8-14)19(22)17-11-15-9-6-10-16(12-17)18(15)20;/h3-5,7-8,15-18H,2,6,9-13,20H2,1H3;1H.
What are the key properties of 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).