(E)-N-phenylmethoxyheptan-1-imine

C14H21NO — CID 88959136

IUPAC(E)-N-phenylmethoxyheptan-1-imine
SMILESCCCCCC/C=N/OCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-5-9-12-15-16-13-14-10-7-6-8-11-14/h6-8,10-12H,2-5,9,13H2,1H3/b15-12+
InChIKeyUJPIPMSEOYYSKA-NTCAYCPXSA-N
MW219.33 g/mol
LogP4.16
Rot. Bonds8

About (E)-N-phenylmethoxyheptan-1-imine

(E)-N-phenylmethoxyheptan-1-imine (PubChem CID 88959136) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N-phenylmethoxyheptan-1-imine.

Molecular Properties

Compound Name(E)-N-phenylmethoxyheptan-1-imine
PubChem CID88959136
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N-phenylmethoxyheptan-1-imine
SMILESCCCCCC/C=N/OCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-4-5-9-12-15-16-13-14-10-7-6-8-11-14/h6-8,10-12H,2-5,9,13H2,1H3/b15-12+
InChIKeyUJPIPMSEOYYSKA-NTCAYCPXSA-N
XLogP4.16
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 ≤ 54.16
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

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(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine
CID 177476839
N-benzyldecan-1-imine
CID 11276634
[(E)-hexacos-15-enoxy]methylbenzene
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[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]octan-1-imine
CID 602550
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxyheptan-1-imine?
The IUPAC name of (E)-N-phenylmethoxyheptan-1-imine (CID 88959136) is (E)-N-phenylmethoxyheptan-1-imine.
What is the SMILES notation for (E)-N-phenylmethoxyheptan-1-imine?
The canonical SMILES for (E)-N-phenylmethoxyheptan-1-imine is CCCCCC/C=N/OCc1ccccc1.
What is the InChIKey of (E)-N-phenylmethoxyheptan-1-imine?
The InChIKey is UJPIPMSEOYYSKA-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-5-9-12-15-16-13-14-10-7-6-8-11-14/h6-8,10-12H,2-5,9,13H2,1H3/b15-12+.
What are the key properties of (E)-N-phenylmethoxyheptan-1-imine?
(E)-N-phenylmethoxyheptan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxyheptan-1-imine is sourced from PubChem (CID 88959136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).