N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine

C11H19N — CID 174318126

IUPACN-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine
SMILESC=NC(C)C(=C)CCC=C(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-6-8-10(3)11(4)12-5/h7,11H,3,5-6,8H2,1-2,4H3
InChIKeyVHWXHQRHCAPVTK-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds5

About N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine

N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine (PubChem CID 174318126) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine
PubChem CID174318126
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine
SMILESC=NC(C)C(=C)CCC=C(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-6-8-10(3)11(4)12-5/h7,11H,3,5-6,8H2,1-2,4H3
InChIKeyVHWXHQRHCAPVTK-UHFFFAOYSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
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-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine?
The IUPAC name of N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine (CID 174318126) is N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine.
What is the SMILES notation for N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine?
The canonical SMILES for N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine is C=NC(C)C(=C)CCC=C(C)C.
What is the InChIKey of N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine?
The InChIKey is VHWXHQRHCAPVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-6-8-10(3)11(4)12-5/h7,11H,3,5-6,8H2,1-2,4H3.
What are the key properties of N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine?
N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine is sourced from PubChem (CID 174318126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).