(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride

C17H31ClN2O — CID 120983573

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2
InChIInChI=1S/C17H30N2O.ClH/c18-16-13-7-6-8-14(16)12-15(11-13)17(20)19-9-4-2-1-3-5-10-19;/h13-16H,1-12,18H2;1H
InChIKeyQNSUNNZFVHSCMD-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.35
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride (PubChem CID 120983573) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
PubChem CID120983573
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2
InChIInChI=1S/C17H30N2O.ClH/c18-16-13-7-6-8-14(16)12-15(11-13)17(20)19-9-4-2-1-3-5-10-19;/h13-16H,1-12,18H2;1H
InChIKeyQNSUNNZFVHSCMD-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride
CID 120993943
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 120993815
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 120991954
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride (CID 120983573) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride?
The InChIKey is QNSUNNZFVHSCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c18-16-13-7-6-8-14(16)12-15(11-13)17(20)19-9-4-2-1-3-5-10-19;/h13-16H,1-12,18H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120983573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).