N-(8-methyldeca-1,8,9-trien-2-yl)methanimine

C12H19N — CID 91381985

IUPACN-(8-methyldeca-1,8,9-trien-2-yl)methanimine
SMILESC=C=C(C)CCCCCC(=C)N=C
InChIInChI=1S/C12H19N/c1-5-11(2)9-7-6-8-10-12(3)13-4/h1,3-4,6-10H2,2H3
InChIKeyVYMFETUJRIDQMV-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.88
Rot. Bonds7

About N-(8-methyldeca-1,8,9-trien-2-yl)methanimine

N-(8-methyldeca-1,8,9-trien-2-yl)methanimine (PubChem CID 91381985) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(8-methyldeca-1,8,9-trien-2-yl)methanimine.

Molecular Properties

Compound NameN-(8-methyldeca-1,8,9-trien-2-yl)methanimine
PubChem CID91381985
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(8-methyldeca-1,8,9-trien-2-yl)methanimine
SMILESC=C=C(C)CCCCCC(=C)N=C
InChIInChI=1S/C12H19N/c1-5-11(2)9-7-6-8-10-12(3)13-4/h1,3-4,6-10H2,2H3
InChIKeyVYMFETUJRIDQMV-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.88
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'}

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Related Compounds

N-[(Z)-1-fluorooct-1-en-2-yl]methanimine
CID 145225939
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine
CID 130378022
N-(2-methylideneoctyl)methanimine
CID 102345884
N-dec-1-en-2-ylmethanimine
CID 141855719
N-(5-methylideneheptan-3-yl)methanimine
CID 158584792

Frequently Asked Questions

What is the IUPAC name of N-(8-methyldeca-1,8,9-trien-2-yl)methanimine?
The IUPAC name of N-(8-methyldeca-1,8,9-trien-2-yl)methanimine (CID 91381985) is N-(8-methyldeca-1,8,9-trien-2-yl)methanimine.
What is the SMILES notation for N-(8-methyldeca-1,8,9-trien-2-yl)methanimine?
The canonical SMILES for N-(8-methyldeca-1,8,9-trien-2-yl)methanimine is C=C=C(C)CCCCCC(=C)N=C.
What is the InChIKey of N-(8-methyldeca-1,8,9-trien-2-yl)methanimine?
The InChIKey is VYMFETUJRIDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11(2)9-7-6-8-10-12(3)13-4/h1,3-4,6-10H2,2H3.
What are the key properties of N-(8-methyldeca-1,8,9-trien-2-yl)methanimine?
N-(8-methyldeca-1,8,9-trien-2-yl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyldeca-1,8,9-trien-2-yl)methanimine is sourced from PubChem (CID 91381985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).