N-(5-methylidenenonan-4-yl)butan-1-imine

C14H27N — CID 11195157

IUPACN-(5-methylidenenonan-4-yl)butan-1-imine
SMILESC=C(CCCC)C(CCC)/N=C/CCC
InChIInChI=1S/C14H27N/c1-5-8-11-13(4)14(10-7-3)15-12-9-6-2/h12,14H,4-11H2,1-3H3/b15-12+
InChIKeyVKEPIFYNZNOVPP-NTCAYCPXSA-N
MW209.38 g/mol
LogP4.77
Rot. Bonds9

About N-(5-methylidenenonan-4-yl)butan-1-imine

N-(5-methylidenenonan-4-yl)butan-1-imine (PubChem CID 11195157) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(5-methylidenenonan-4-yl)butan-1-imine.

Molecular Properties

Compound NameN-(5-methylidenenonan-4-yl)butan-1-imine
PubChem CID11195157
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(5-methylidenenonan-4-yl)butan-1-imine
SMILESC=C(CCCC)C(CCC)/N=C/CCC
InChIInChI=1S/C14H27N/c1-5-8-11-13(4)14(10-7-3)15-12-9-6-2/h12,14H,4-11H2,1-3H3/b15-12+
InChIKeyVKEPIFYNZNOVPP-NTCAYCPXSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.77
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'}

Analyze N-(5-methylidenenonan-4-yl)butan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methylidenenonan-4-yl)butan-1-imine?
The IUPAC name of N-(5-methylidenenonan-4-yl)butan-1-imine (CID 11195157) is N-(5-methylidenenonan-4-yl)butan-1-imine.
What is the SMILES notation for N-(5-methylidenenonan-4-yl)butan-1-imine?
The canonical SMILES for N-(5-methylidenenonan-4-yl)butan-1-imine is C=C(CCCC)C(CCC)/N=C/CCC.
What is the InChIKey of N-(5-methylidenenonan-4-yl)butan-1-imine?
The InChIKey is VKEPIFYNZNOVPP-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27N/c1-5-8-11-13(4)14(10-7-3)15-12-9-6-2/h12,14H,4-11H2,1-3H3/b15-12+.
What are the key properties of N-(5-methylidenenonan-4-yl)butan-1-imine?
N-(5-methylidenenonan-4-yl)butan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylidenenonan-4-yl)butan-1-imine is sourced from PubChem (CID 11195157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).