N-(5-methylhex-2-enyl)methanimine

C8H15N — CID 123304399

IUPACN-(5-methylhex-2-enyl)methanimine
SMILESC=NCC=CCC(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVPXOFUUBJBBQBJ-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds4

About N-(5-methylhex-2-enyl)methanimine

N-(5-methylhex-2-enyl)methanimine (PubChem CID 123304399) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(5-methylhex-2-enyl)methanimine.

Molecular Properties

Compound NameN-(5-methylhex-2-enyl)methanimine
PubChem CID123304399
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(5-methylhex-2-enyl)methanimine
SMILESC=NCC=CCC(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVPXOFUUBJBBQBJ-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhex-2-enyl)methanimine?
The IUPAC name of N-(5-methylhex-2-enyl)methanimine (CID 123304399) is N-(5-methylhex-2-enyl)methanimine.
What is the SMILES notation for N-(5-methylhex-2-enyl)methanimine?
The canonical SMILES for N-(5-methylhex-2-enyl)methanimine is C=NCC=CCC(C)C.
What is the InChIKey of N-(5-methylhex-2-enyl)methanimine?
The InChIKey is VPXOFUUBJBBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-(5-methylhex-2-enyl)methanimine?
N-(5-methylhex-2-enyl)methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhex-2-enyl)methanimine is sourced from PubChem (CID 123304399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).