5-phenylmethoxyimino-2-propylhexanenitrile

C16H22N2O — CID 140887382

IUPAC5-phenylmethoxyimino-2-propylhexanenitrile
SMILESCCCC(C#N)CCC(C)=NOCc1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-7-15(12-17)11-10-14(2)18-19-13-16-8-5-4-6-9-16/h4-6,8-9,15H,3,7,10-11,13H2,1-2H3
InChIKeyKJKZCUYBVXLCGN-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.30
Rot. Bonds8

About 5-phenylmethoxyimino-2-propylhexanenitrile

5-phenylmethoxyimino-2-propylhexanenitrile (PubChem CID 140887382) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-phenylmethoxyimino-2-propylhexanenitrile.

Molecular Properties

Compound Name5-phenylmethoxyimino-2-propylhexanenitrile
PubChem CID140887382
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-phenylmethoxyimino-2-propylhexanenitrile
SMILESCCCC(C#N)CCC(C)=NOCc1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-7-15(12-17)11-10-14(2)18-19-13-16-8-5-4-6-9-16/h4-6,8-9,15H,3,7,10-11,13H2,1-2H3
InChIKeyKJKZCUYBVXLCGN-UHFFFAOYSA-N
XLogP4.30
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
6-phenylmethoxyiminodecanenitrile
CID 140887606
4-phenylmethoxyiminohexanenitrile
CID 140887374
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
(4-cyanoheptan-2-ylideneamino) benzenesulfonate
CID 140887426
2-ethyl-4-phenylmethoxyiminobutanenitrile
CID 118511405
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324
2-cyanopentyl benzoate
CID 123568699

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxyimino-2-propylhexanenitrile?
The IUPAC name of 5-phenylmethoxyimino-2-propylhexanenitrile (CID 140887382) is 5-phenylmethoxyimino-2-propylhexanenitrile.
What is the SMILES notation for 5-phenylmethoxyimino-2-propylhexanenitrile?
The canonical SMILES for 5-phenylmethoxyimino-2-propylhexanenitrile is CCCC(C#N)CCC(C)=NOCc1ccccc1.
What is the InChIKey of 5-phenylmethoxyimino-2-propylhexanenitrile?
The InChIKey is KJKZCUYBVXLCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-7-15(12-17)11-10-14(2)18-19-13-16-8-5-4-6-9-16/h4-6,8-9,15H,3,7,10-11,13H2,1-2H3.
What are the key properties of 5-phenylmethoxyimino-2-propylhexanenitrile?
5-phenylmethoxyimino-2-propylhexanenitrile has a molecular weight of 258.37 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxyimino-2-propylhexanenitrile is sourced from PubChem (CID 140887382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).