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

C9H17N — CID 123496528

IUPACN-(5-methylhept-2-enyl)methanimine
SMILESC=NCC=CCC(C)CC
InChIInChI=1S/C9H17N/c1-4-9(2)7-5-6-8-10-3/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHRXQLPKHVPHLPE-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds5

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

N-(5-methylhept-2-enyl)methanimine (PubChem CID 123496528) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(5-methylhept-2-enyl)methanimine.

Molecular Properties

Compound NameN-(5-methylhept-2-enyl)methanimine
PubChem CID123496528
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(5-methylhept-2-enyl)methanimine
SMILESC=NCC=CCC(C)CC
InChIInChI=1S/C9H17N/c1-4-9(2)7-5-6-8-10-3/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHRXQLPKHVPHLPE-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
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-methylhept-2-enyl)methanimine?
The IUPAC name of N-(5-methylhept-2-enyl)methanimine (CID 123496528) is N-(5-methylhept-2-enyl)methanimine.
What is the SMILES notation for N-(5-methylhept-2-enyl)methanimine?
The canonical SMILES for N-(5-methylhept-2-enyl)methanimine is C=NCC=CCC(C)CC.
What is the InChIKey of N-(5-methylhept-2-enyl)methanimine?
The InChIKey is HRXQLPKHVPHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(2)7-5-6-8-10-3/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N-(5-methylhept-2-enyl)methanimine?
N-(5-methylhept-2-enyl)methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhept-2-enyl)methanimine is sourced from PubChem (CID 123496528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).