N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine

C9H15N — CID 126663663

IUPACN-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine
SMILESC=NC/C=C\C=C(\C)CC
InChIInChI=1S/C9H15N/c1-4-9(2)7-5-6-8-10-3/h5-7H,3-4,8H2,1-2H3/b6-5-,9-7-
InChIKeyVMMBVXAGSYHCRO-LZWBOMALSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds4

About N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine

N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine (PubChem CID 126663663) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine
PubChem CID126663663
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine
SMILESC=NC/C=C\C=C(\C)CC
InChIInChI=1S/C9H15N/c1-4-9(2)7-5-6-8-10-3/h5-7H,3-4,8H2,1-2H3/b6-5-,9-7-
InChIKeyVMMBVXAGSYHCRO-LZWBOMALSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine?
The IUPAC name of N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine (CID 126663663) is N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine is C=NC/C=C\C=C(\C)CC.
What is the InChIKey of N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine?
The InChIKey is VMMBVXAGSYHCRO-LZWBOMALSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9(2)7-5-6-8-10-3/h5-7H,3-4,8H2,1-2H3/b6-5-,9-7-.
What are the key properties of N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine?
N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine is sourced from PubChem (CID 126663663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).