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

C9H15N — CID 142974339

IUPACN-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(C)=C/C)CC
InChIInChI=1S/C9H15N/c1-5-8(3)7-9(6-2)10-4/h5,7H,4,6H2,1-3H3/b8-5-,9-7-
InChIKeyZKHUOCPFFRWTKS-IOUWKBNPSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

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

N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine (PubChem CID 142974339) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine
PubChem CID142974339
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C(C)=C/C)CC
InChIInChI=1S/C9H15N/c1-5-8(3)7-9(6-2)10-4/h5,7H,4,6H2,1-3H3/b8-5-,9-7-
InChIKeyZKHUOCPFFRWTKS-IOUWKBNPSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine (CID 142974339) is N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C(C)=C/C)CC.
What is the InChIKey of N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is ZKHUOCPFFRWTKS-IOUWKBNPSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(3)7-9(6-2)10-4/h5,7H,4,6H2,1-3H3/b8-5-,9-7-.
What are the key properties of N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-5-methylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 142974339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).