N-(3-ethyl-2-methylidenehexyl)ethanimine

C11H21N — CID 166864525

IUPACN-(3-ethyl-2-methylidenehexyl)ethanimine
SMILESC=C(C/N=C/C)C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-8-11(6-2)10(4)9-12-7-3/h7,11H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyJVWMDVAWDGXHHN-KPKJPENVSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds6

About N-(3-ethyl-2-methylidenehexyl)ethanimine

N-(3-ethyl-2-methylidenehexyl)ethanimine (PubChem CID 166864525) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(3-ethyl-2-methylidenehexyl)ethanimine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylidenehexyl)ethanimine
PubChem CID166864525
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(3-ethyl-2-methylidenehexyl)ethanimine
SMILESC=C(C/N=C/C)C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-8-11(6-2)10(4)9-12-7-3/h7,11H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyJVWMDVAWDGXHHN-KPKJPENVSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
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-(3-ethyl-2-methylidenehexyl)ethanimine?
The IUPAC name of N-(3-ethyl-2-methylidenehexyl)ethanimine (CID 166864525) is N-(3-ethyl-2-methylidenehexyl)ethanimine.
What is the SMILES notation for N-(3-ethyl-2-methylidenehexyl)ethanimine?
The canonical SMILES for N-(3-ethyl-2-methylidenehexyl)ethanimine is C=C(C/N=C/C)C(CC)CCC.
What is the InChIKey of N-(3-ethyl-2-methylidenehexyl)ethanimine?
The InChIKey is JVWMDVAWDGXHHN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-11(6-2)10(4)9-12-7-3/h7,11H,4-6,8-9H2,1-3H3/b12-7+.
What are the key properties of N-(3-ethyl-2-methylidenehexyl)ethanimine?
N-(3-ethyl-2-methylidenehexyl)ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylidenehexyl)ethanimine is sourced from PubChem (CID 166864525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).