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

C19H32N3- — CID 162358394

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide
SMILES[N-]=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H32N3/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/h15-18H,1-14H2/q-1
InChIKeyVWUIDLWRFVGLFR-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.22
Rot. Bonds

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

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide (PubChem CID 162358394) has the molecular formula C19H32N3- and a molecular weight of 302.49 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide
PubChem CID162358394
Molecular FormulaC19H32N3-
Molecular Weight302.49 g/mol
Exact Mass302.26
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide
SMILES[N-]=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21
InChIInChI=1S/C19H32N3/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/h15-18H,1-14H2/q-1
InChIKeyVWUIDLWRFVGLFR-UHFFFAOYSA-N
XLogP4.22
TPSA28.78 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)methylideneazanide?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide (CID 162358394) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide is [N-]=C(N1CCCC2CCCCC21)N1CCCC2CCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide?
The InChIKey is VWUIDLWRFVGLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N3/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/h15-18H,1-14H2/q-1.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide has a molecular weight of 302.49 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 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)methylideneazanide is sourced from PubChem (CID 162358394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).