(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride

C12H24ClN3O — CID 120873110

IUPAC(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC2C(CCCN2C)C1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-9(13)12(16)15-7-5-11-10(8-15)4-3-6-14(11)2;/h9-11H,3-8,13H2,1-2H3;1H/t9-,10?,11?;/m1./s1
InChIKeyGYJCASDWJCDTIW-XRUJYBCYSA-N
MW261.80 g/mol
LogP0.70
Rot. Bonds1

About (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride (PubChem CID 120873110) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
PubChem CID120873110
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC2C(CCCN2C)C1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-9(13)12(16)15-7-5-11-10(8-15)4-3-6-14(11)2;/h9-11H,3-8,13H2,1-2H3;1H/t9-,10?,11?;/m1./s1
InChIKeyGYJCASDWJCDTIW-XRUJYBCYSA-N
XLogP0.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one
CID 81199953
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-one
CID 81199957
3-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-sulfanylbutan-1-one
CID 107033002
2-chloro-2-fluoro-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 167816390
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
1-methyl-N'-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 81199983
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
CID 82689255
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
CID 112700457
6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199611
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656880
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride?
The IUPAC name of (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) is (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCC2C(CCCN2C)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride?
The InChIKey is GYJCASDWJCDTIW-XRUJYBCYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-9(13)12(16)15-7-5-11-10(8-15)4-3-6-14(11)2;/h9-11H,3-8,13H2,1-2H3;1H/t9-,10?,11?;/m1./s1.
What are the key properties of (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120873110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).