3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine

C13H22N2 — CID 63175923

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCC2CCCCC21
InChIInChI=1S/C13H22N2/c14-13(11-7-8-11)15-9-3-5-10-4-1-2-6-12(10)15/h10-12,14H,1-9H2/b14-13+
InChIKeyYTJYKNVIVVPNTE-BUHFOSPRSA-N
MW206.33 g/mol
LogP3.03
Rot. Bonds1

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine (PubChem CID 63175923) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine
PubChem CID63175923
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCC2CCCCC21
InChIInChI=1S/C13H22N2/c14-13(11-7-8-11)15-9-3-5-10-4-1-2-6-12(10)15/h10-12,14H,1-9H2/b14-13+
InChIKeyYTJYKNVIVVPNTE-BUHFOSPRSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-cyclopropylmethanimine
CID 102728778
cyclopropyl-(2-methylpiperidin-1-yl)methanimine
CID 63178526
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(cyclopentyl)methanimine
CID 63176563
(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide;hydrobromide
CID 122163422
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
cyclohexyl-(2-ethylpiperidin-1-yl)methanimine
CID 63175453
1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-3,3-dicyclopropylprop-2-en-1-one
CID 97015732
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine (CID 63175923) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine is [H]/N=C(\C1CC1)N1CCCC2CCCCC21.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine?
The InChIKey is YTJYKNVIVVPNTE-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H22N2/c14-13(11-7-8-11)15-9-3-5-10-4-1-2-6-12(10)15/h10-12,14H,1-9H2/b14-13+.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(cyclopropyl)methanimine is sourced from PubChem (CID 63175923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).