N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine

C22H20N2 — CID 143871675

IUPACN-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
SMILESC/C=C/c1cc(N=C(c2ccccc2)c2ccccc2)cnc1C
InChIInChI=1S/C22H20N2/c1-3-10-20-15-21(16-23-17(20)2)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-16H,1-2H3/b10-3+
InChIKeyFLRAOZMZNAKRMQ-XCVCLJGOSA-N
MW312.42 g/mol
LogP5.59
Rot. Bonds4

About N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine

N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 143871675) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
PubChem CID143871675
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
SMILESC/C=C/c1cc(N=C(c2ccccc2)c2ccccc2)cnc1C
InChIInChI=1S/C22H20N2/c1-3-10-20-15-21(16-23-17(20)2)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-16H,1-2H3/b10-3+
InChIKeyFLRAOZMZNAKRMQ-XCVCLJGOSA-N
XLogP5.59
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
CID 121256190
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
CID 171466296
5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
CID 164600664
N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 86676179
N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
CID 58065690
3-(benzhydrylideneamino)-6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 169085606
N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
CID 170741206
N-(3-methylimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine
CID 138621159
N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 156507700
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine (CID 143871675) is N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine is C/C=C/c1cc(N=C(c2ccccc2)c2ccccc2)cnc1C.
What is the InChIKey of N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is FLRAOZMZNAKRMQ-XCVCLJGOSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-10-20-15-21(16-23-17(20)2)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h3-16H,1-2H3/b10-3+.
What are the key properties of N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine?
N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 312.42 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 143871675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).