N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine

C11H17N — CID 123230592

IUPACN-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine
SMILESC=C(C=CC)C(/N=C/C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-8-10(5)11(9(3)4)12-7-2/h6-8H,5H2,1-4H3/b8-6?,12-7+
InChIKeyNSGPVBQXPXHFHM-SUXIFNBGSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

About N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine

N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine (PubChem CID 123230592) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine.

Molecular Properties

Compound NameN-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine
PubChem CID123230592
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine
SMILESC=C(C=CC)C(/N=C/C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-8-10(5)11(9(3)4)12-7-2/h6-8H,5H2,1-4H3/b8-6?,12-7+
InChIKeyNSGPVBQXPXHFHM-SUXIFNBGSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine?
The IUPAC name of N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine (CID 123230592) is N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine.
What is the SMILES notation for N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine?
The canonical SMILES for N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine is C=C(C=CC)C(/N=C/C)=C(C)C.
What is the InChIKey of N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine?
The InChIKey is NSGPVBQXPXHFHM-SUXIFNBGSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-10(5)11(9(3)4)12-7-2/h6-8H,5H2,1-4H3/b8-6?,12-7+.
What are the key properties of N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine?
N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine is sourced from PubChem (CID 123230592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).