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

C17H30N2O — CID 120983574

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2
InChIInChI=1S/C17H30N2O/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
InChIKeyBEKANFTWFPGOHC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.93
Rot. Bonds1

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

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone (PubChem CID 120983574) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
PubChem CID120983574
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2
InChIInChI=1S/C17H30N2O/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
InChIKeyBEKANFTWFPGOHC-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(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-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)-(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
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
CID 120992451
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone (CID 120983574) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone is NC1C2CCCC1CC(C(=O)N1CCCCCCC1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone?
The InChIKey is BEKANFTWFPGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/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.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 2.93, 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 is sourced from PubChem (CID 120983574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).