N-methoxy-1-phenylhexan-1-imine

C13H19NO — CID 141496906

IUPACN-methoxy-1-phenylhexan-1-imine
SMILESCCCCCC(=NOC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3
InChIKeyJHORCPTYSFLRED-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.62
Rot. Bonds6

About N-methoxy-1-phenylhexan-1-imine

N-methoxy-1-phenylhexan-1-imine (PubChem CID 141496906) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methoxy-1-phenylhexan-1-imine.

Molecular Properties

Compound NameN-methoxy-1-phenylhexan-1-imine
PubChem CID141496906
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methoxy-1-phenylhexan-1-imine
SMILESCCCCCC(=NOC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3
InChIKeyJHORCPTYSFLRED-UHFFFAOYSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.62
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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(NZ)-N-(1-phenyloctylidene)hydroxylamine
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(NE)-N-(1-phenyltetradecylidene)hydroxylamine
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4-[(E)-N-methoxy-C-undecylcarbonimidoyl]benzene-1,2-diol
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4-[(E)-N-methoxy-C-octylcarbonimidoyl]benzene-1,2-diol
CID 135735785
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
(1-phenylhexylideneamino) 4-phenylbenzoate
CID 3098243
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
CID 171982927
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-(1-phenylpentylideneamino)octanamide
CID 4676930
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
CID 6535809

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylhexan-1-imine?
The IUPAC name of N-methoxy-1-phenylhexan-1-imine (CID 141496906) is N-methoxy-1-phenylhexan-1-imine.
What is the SMILES notation for N-methoxy-1-phenylhexan-1-imine?
The canonical SMILES for N-methoxy-1-phenylhexan-1-imine is CCCCCC(=NOC)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenylhexan-1-imine?
The InChIKey is JHORCPTYSFLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-6-11-13(14-15-2)12-9-7-5-8-10-12/h5,7-10H,3-4,6,11H2,1-2H3.
What are the key properties of N-methoxy-1-phenylhexan-1-imine?
N-methoxy-1-phenylhexan-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylhexan-1-imine is sourced from PubChem (CID 141496906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).