N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine

C9H15N — CID 143137325

IUPACN-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C/C=C(C)C)CC
InChIInChI=1S/C9H15N/c1-5-9(10-4)7-6-8(2)3/h6-7H,4-5H2,1-3H3/b9-7+
InChIKeyUQVLQDARIBHXNV-VQHVLOKHSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine

N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine (PubChem CID 143137325) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
PubChem CID143137325
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C/C=C(C)C)CC
InChIInChI=1S/C9H15N/c1-5-9(10-4)7-6-8(2)3/h6-7H,4-5H2,1-3H3/b9-7+
InChIKeyUQVLQDARIBHXNV-VQHVLOKHSA-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-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine (CID 143137325) is N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C/C=C(C)C)CC.
What is the InChIKey of N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is UQVLQDARIBHXNV-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(10-4)7-6-8(2)3/h6-7H,4-5H2,1-3H3/b9-7+.
What are the key properties of N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine?
N-[(3E)-6-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-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 143137325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).