(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H28N2O — CID 120992017

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1C3CCCC1CC3)C2
InChIInChI=1S/C17H28N2O/c18-16-11-3-1-4-12(16)10-13(9-11)17(20)19-14-5-2-6-15(19)8-7-14/h11-16H,1-10,18H2
InChIKeyOKAUUFVOVYJXNL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 120992017) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID120992017
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1C3CCCC1CC3)C2
InChIInChI=1S/C17H28N2O/c18-16-11-3-1-4-12(16)10-13(9-11)17(20)19-14-5-2-6-15(19)8-7-14/h11-16H,1-10,18H2
InChIKeyOKAUUFVOVYJXNL-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(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)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,5-diethylpiperazin-1-yl]ethanone;hydrochloride
CID 120991549
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071
1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 120989169
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120987548
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
CID 120993476

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 120992017) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone is NC1C2CCCC1CC(C(=O)N1C3CCCC1CC3)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is OKAUUFVOVYJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c18-16-11-3-1-4-12(16)10-13(9-11)17(20)19-14-5-2-6-15(19)8-7-14/h11-16H,1-10,18H2.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 276.42 g/mol, XLogP of 2.68, 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)-(8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 120992017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).