(E)-N-heptoxy-1-phenylmethanimine

C14H21NO — CID 11241455

IUPAC(E)-N-heptoxy-1-phenylmethanimine
SMILESCCCCCCCO/N=C/c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-5-9-12-16-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+
InChIKeyRSTFEYJSLDMTRD-FYWRMAATSA-N
MW219.33 g/mol
LogP4.01
Rot. Bonds8

About (E)-N-heptoxy-1-phenylmethanimine

(E)-N-heptoxy-1-phenylmethanimine (PubChem CID 11241455) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N-heptoxy-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-heptoxy-1-phenylmethanimine
PubChem CID11241455
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N-heptoxy-1-phenylmethanimine
SMILESCCCCCCCO/N=C/c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-5-9-12-16-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+
InChIKeyRSTFEYJSLDMTRD-FYWRMAATSA-N
XLogP4.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-octoxy-1-phenylmethanimine
CID 25012804
1-phenyl-N-(2-trimethylsilylethoxy)methanimine
CID 86645112
(E)-N-[4-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]-1-naphthalen-2-ylmethanimine
CID 142283938
1-pentoxypentane;styrene
CID 174531543
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
octoxy(phenyl)diazene
CID 19023895
N-methyl-2-oxo-7-[(4-phenylphenyl)methylideneamino]oxyheptanamide
CID 75000935
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
N-[(E)-benzylideneamino]heptanamide
CID 6083821

Frequently Asked Questions

What is the IUPAC name of (E)-N-heptoxy-1-phenylmethanimine?
The IUPAC name of (E)-N-heptoxy-1-phenylmethanimine (CID 11241455) is (E)-N-heptoxy-1-phenylmethanimine.
What is the SMILES notation for (E)-N-heptoxy-1-phenylmethanimine?
The canonical SMILES for (E)-N-heptoxy-1-phenylmethanimine is CCCCCCCO/N=C/c1ccccc1.
What is the InChIKey of (E)-N-heptoxy-1-phenylmethanimine?
The InChIKey is RSTFEYJSLDMTRD-FYWRMAATSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-5-9-12-16-15-13-14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3/b15-13+.
What are the key properties of (E)-N-heptoxy-1-phenylmethanimine?
(E)-N-heptoxy-1-phenylmethanimine has a molecular weight of 219.33 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-heptoxy-1-phenylmethanimine is sourced from PubChem (CID 11241455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).