N-oct-1-ynyl-1,1-diphenylmethanimine

C21H23N — CID 102450748

IUPACN-oct-1-ynyl-1,1-diphenylmethanimine
SMILESCCCCCCC#CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-2-3-4-5-6-13-18-22-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6H2,1H3
InChIKeyOYCVATIBOFSTGO-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.46
Rot. Bonds6

About N-oct-1-ynyl-1,1-diphenylmethanimine

N-oct-1-ynyl-1,1-diphenylmethanimine (PubChem CID 102450748) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is N-oct-1-ynyl-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-oct-1-ynyl-1,1-diphenylmethanimine
PubChem CID102450748
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC NameN-oct-1-ynyl-1,1-diphenylmethanimine
SMILESCCCCCCC#CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-2-3-4-5-6-13-18-22-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6H2,1H3
InChIKeyOYCVATIBOFSTGO-UHFFFAOYSA-N
XLogP5.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
tridec-1-ynylbenzene
CID 19991064
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
ethane;non-1-ynylbenzene
CID 143616673
dec-3-ynylbenzene
CID 13130420
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
1,2-bis(oct-1-ynyl)benzene
CID 11087701
oct-1-en-3-yn-2-ylbenzene
CID 86242377
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
1-phenylundec-2-yne-1,1-diol
CID 166475568
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
N-(2-methyldodec-3-yn-2-yl)benzamide
CID 570272

Frequently Asked Questions

What is the IUPAC name of N-oct-1-ynyl-1,1-diphenylmethanimine?
The IUPAC name of N-oct-1-ynyl-1,1-diphenylmethanimine (CID 102450748) is N-oct-1-ynyl-1,1-diphenylmethanimine.
What is the SMILES notation for N-oct-1-ynyl-1,1-diphenylmethanimine?
The canonical SMILES for N-oct-1-ynyl-1,1-diphenylmethanimine is CCCCCCC#CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-oct-1-ynyl-1,1-diphenylmethanimine?
The InChIKey is OYCVATIBOFSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-2-3-4-5-6-13-18-22-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6H2,1H3.
What are the key properties of N-oct-1-ynyl-1,1-diphenylmethanimine?
N-oct-1-ynyl-1,1-diphenylmethanimine has a molecular weight of 289.42 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-1-ynyl-1,1-diphenylmethanimine is sourced from PubChem (CID 102450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).