N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine

C9H15NO — CID 170131281

IUPACN-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C/C)OC)CC
InChIInChI=1S/C9H15NO/c1-5-8(10-3)7-9(6-2)11-4/h6-7H,3,5H2,1-2,4H3/b8-7-,9-6+
InChIKeyADYXSGODPWQHSD-SOKJVCRVSA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds4

About N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine (PubChem CID 170131281) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine
PubChem CID170131281
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(=C/C)OC)CC
InChIInChI=1S/C9H15NO/c1-5-8(10-3)7-9(6-2)11-4/h6-7H,3,5H2,1-2,4H3/b8-7-,9-6+
InChIKeyADYXSGODPWQHSD-SOKJVCRVSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine (CID 170131281) is N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C(=C/C)OC)CC.
What is the InChIKey of N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine?
The InChIKey is ADYXSGODPWQHSD-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(10-3)7-9(6-2)11-4/h6-7H,3,5H2,1-2,4H3/b8-7-,9-6+.
What are the key properties of N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine has a molecular weight of 153.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-methoxyhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 170131281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).