N-(2-methylideneoctyl)methanimine

C10H19N — CID 102345884

IUPACN-(2-methylideneoctyl)methanimine
SMILESC=NCC(=C)CCCCCC
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-10(2)9-11-3/h2-9H2,1H3
InChIKeyPHYIRCHYLJACAC-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds7

About N-(2-methylideneoctyl)methanimine

N-(2-methylideneoctyl)methanimine (PubChem CID 102345884) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2-methylideneoctyl)methanimine.

Molecular Properties

Compound NameN-(2-methylideneoctyl)methanimine
PubChem CID102345884
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2-methylideneoctyl)methanimine
SMILESC=NCC(=C)CCCCCC
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-10(2)9-11-3/h2-9H2,1H3
InChIKeyPHYIRCHYLJACAC-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylideneoctyl)methanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methylidenenonan-4-yl)butan-1-imine
CID 11195157
1-Isocyano-4-methylideneoctane
CID 134856170
8-Isocyanato-2-methyloct-1-ene
CID 89328556
N-(2-methylidenehexyl)methanimine
CID 89785528
N-(6-methyl-5-methylidenehept-6-enyl)methanimine
CID 91160163
N-(8-methyldeca-1,8,9-trien-2-yl)methanimine
CID 91381985
N-(6-methylideneoctyl)ethanimine
CID 123581746
N-[[(1E)-cyclodecen-1-yl]methyl]methanimine
CID 130279054
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N-(2-methyl-6-methylideneocta-1,7-dien-3-yl)methanimine
CID 139514343
N-(2,8-dimethylnon-8-enyl)methanimine
CID 155202486
N-(3,7-dimethyl-6-methylideneoctyl)methanimine
CID 156242731

Frequently Asked Questions

What is the IUPAC name of N-(2-methylideneoctyl)methanimine?
The IUPAC name of N-(2-methylideneoctyl)methanimine (CID 102345884) is N-(2-methylideneoctyl)methanimine.
What is the SMILES notation for N-(2-methylideneoctyl)methanimine?
The canonical SMILES for N-(2-methylideneoctyl)methanimine is C=NCC(=C)CCCCCC.
What is the InChIKey of N-(2-methylideneoctyl)methanimine?
The InChIKey is PHYIRCHYLJACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-6-7-8-10(2)9-11-3/h2-9H2,1H3.
What are the key properties of N-(2-methylideneoctyl)methanimine?
N-(2-methylideneoctyl)methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylideneoctyl)methanimine is sourced from PubChem (CID 102345884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).