1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine

C11H19N3 — CID 145331040

IUPAC1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine
SMILESC=CN1/C(=N/C)CCC2CNCCC21
InChIInChI=1S/C11H19N3/c1-3-14-10-6-7-13-8-9(10)4-5-11(14)12-2/h3,9-10,13H,1,4-8H2,2H3/b12-11+
InChIKeyFZDRRHKFUIRPBP-VAWYXSNFSA-N
MW193.29 g/mol
LogP1.23
Rot. Bonds1

About 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine

1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine (PubChem CID 145331040) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine.

Molecular Properties

Compound Name1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine
PubChem CID145331040
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine
SMILESC=CN1/C(=N/C)CCC2CNCCC21
InChIInChI=1S/C11H19N3/c1-3-14-10-6-7-13-8-9(10)4-5-11(14)12-2/h3,9-10,13H,1,4-8H2,2H3/b12-11+
InChIKeyFZDRRHKFUIRPBP-VAWYXSNFSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine
CID 138109379
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 118759721
7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
CID 90686018
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
4-(2-methylpyrazolidin-3-yl)piperidin-3-amine
CID 129134746
1-(3-ethylsulfanylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 113474138
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine
CID 143881358
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 82856132
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 57481548

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine?
The IUPAC name of 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine (CID 145331040) is 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine.
What is the SMILES notation for 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine?
The canonical SMILES for 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine is C=CN1/C(=N/C)CCC2CNCCC21.
What is the InChIKey of 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine?
The InChIKey is FZDRRHKFUIRPBP-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14-10-6-7-13-8-9(10)4-5-11(14)12-2/h3,9-10,13H,1,4-8H2,2H3/b12-11+.
What are the key properties of 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine?
1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine has a molecular weight of 193.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-imine is sourced from PubChem (CID 145331040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).