(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride

C19H34ClN3O — CID 120992922

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride
SMILESCN1CCCC2CN(C(=O)C3CC4CCCC(C3)C4N)CCC21.Cl
InChIInChI=1S/C19H33N3O.ClH/c1-21-8-3-6-15-12-22(9-7-17(15)21)19(23)16-10-13-4-2-5-14(11-16)18(13)20;/h13-18H,2-12,20H2,1H3;1H
InChIKeyNNNKJHMBILJGPN-UHFFFAOYSA-N
MW355.95 g/mol
LogP2.50
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride (PubChem CID 120992922) has the molecular formula C19H34ClN3O and a molecular weight of 355.95 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride
PubChem CID120992922
Molecular FormulaC19H34ClN3O
Molecular Weight355.95 g/mol
Exact Mass355.24
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride
SMILESCN1CCCC2CN(C(=O)C3CC4CCCC(C3)C4N)CCC21.Cl
InChIInChI=1S/C19H33N3O.ClH/c1-21-8-3-6-15-12-22(9-7-17(15)21)19(23)16-10-13-4-2-5-14(11-16)18(13)20;/h13-18H,2-12,20H2,1H3;1H
InChIKeyNNNKJHMBILJGPN-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride with MolForge

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Related Compounds

(3-aminocyclohexyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81200359
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120639174
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
CID 120873110
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
CID 120992451
2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one
CID 81199953
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride (CID 120992922) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride is CN1CCCC2CN(C(=O)C3CC4CCCC(C3)C4N)CCC21.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride?
The InChIKey is NNNKJHMBILJGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.ClH/c1-21-8-3-6-15-12-22(9-7-17(15)21)19(23)16-10-13-4-2-5-14(11-16)18(13)20;/h13-18H,2-12,20H2,1H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride is sourced from PubChem (CID 120992922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).