N-(1-methoxyhexa-2,4-dien-2-yl)methanimine

C8H13NO — CID 123372368

IUPACN-(1-methoxyhexa-2,4-dien-2-yl)methanimine
SMILESC=NC(=CC=CC)COC
InChIInChI=1S/C8H13NO/c1-4-5-6-8(9-2)7-10-3/h4-6H,2,7H2,1,3H3
InChIKeyKVWKKWWYWPFWDN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds4

About N-(1-methoxyhexa-2,4-dien-2-yl)methanimine

N-(1-methoxyhexa-2,4-dien-2-yl)methanimine (PubChem CID 123372368) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(1-methoxyhexa-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-methoxyhexa-2,4-dien-2-yl)methanimine
PubChem CID123372368
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(1-methoxyhexa-2,4-dien-2-yl)methanimine
SMILESC=NC(=CC=CC)COC
InChIInChI=1S/C8H13NO/c1-4-5-6-8(9-2)7-10-3/h4-6H,2,7H2,1,3H3
InChIKeyKVWKKWWYWPFWDN-UHFFFAOYSA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexa-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(1-methoxyhexa-2,4-dien-2-yl)methanimine (CID 123372368) is N-(1-methoxyhexa-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(1-methoxyhexa-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(1-methoxyhexa-2,4-dien-2-yl)methanimine is C=NC(=CC=CC)COC.
What is the InChIKey of N-(1-methoxyhexa-2,4-dien-2-yl)methanimine?
The InChIKey is KVWKKWWYWPFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6-8(9-2)7-10-3/h4-6H,2,7H2,1,3H3.
What are the key properties of N-(1-methoxyhexa-2,4-dien-2-yl)methanimine?
N-(1-methoxyhexa-2,4-dien-2-yl)methanimine has a molecular weight of 139.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexa-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123372368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).