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

C19H33N3 — CID 162358395

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine
SMILES[H]N=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H33N3/c20-19(21-13-5-9-15-7-1-3-11-17(15)21)22-14-6-10-16-8-2-4-12-18(16)22/h15-18,20H,1-14H2
InChIKeyZJYUGWBMBDPFOC-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.23
Rot. Bonds

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

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine (PubChem CID 162358395) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine
PubChem CID162358395
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine
SMILES[H]N=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H33N3/c20-19(21-13-5-9-15-7-1-3-11-17(15)21)22-14-6-10-16-8-2-4-12-18(16)22/h15-18,20H,1-14H2
InChIKeyZJYUGWBMBDPFOC-UHFFFAOYSA-N
XLogP4.23
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine (CID 162358395) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine is [H]N=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine?
The InChIKey is ZJYUGWBMBDPFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c20-19(21-13-5-9-15-7-1-3-11-17(15)21)22-14-6-10-16-8-2-4-12-18(16)22/h15-18,20H,1-14H2.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine has a molecular weight of 303.49 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine is sourced from PubChem (CID 162358395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).