(Z)-4-ethyl-5-methyloct-4-en-2-imine

C11H21N — CID 126639810

IUPAC(Z)-4-ethyl-5-methyloct-4-en-2-imine
SMILES[H]/N=C(\C)C/C(CC)=C(/C)CCC
InChIInChI=1S/C11H21N/c1-5-7-9(3)11(6-2)8-10(4)12/h12H,5-8H2,1-4H3/b11-9-,12-10+
InChIKeyLBUUBGUASHWMFR-DSOJMZEYSA-N
MW167.30 g/mol
LogP3.94
Rot. Bonds5

About (Z)-4-ethyl-5-methyloct-4-en-2-imine

(Z)-4-ethyl-5-methyloct-4-en-2-imine (PubChem CID 126639810) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-4-ethyl-5-methyloct-4-en-2-imine.

Molecular Properties

Compound Name(Z)-4-ethyl-5-methyloct-4-en-2-imine
PubChem CID126639810
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-4-ethyl-5-methyloct-4-en-2-imine
SMILES[H]/N=C(\C)C/C(CC)=C(/C)CCC
InChIInChI=1S/C11H21N/c1-5-7-9(3)11(6-2)8-10(4)12/h12H,5-8H2,1-4H3/b11-9-,12-10+
InChIKeyLBUUBGUASHWMFR-DSOJMZEYSA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
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 (Z)-4-ethyl-5-methyloct-4-en-2-imine?
The IUPAC name of (Z)-4-ethyl-5-methyloct-4-en-2-imine (CID 126639810) is (Z)-4-ethyl-5-methyloct-4-en-2-imine.
What is the SMILES notation for (Z)-4-ethyl-5-methyloct-4-en-2-imine?
The canonical SMILES for (Z)-4-ethyl-5-methyloct-4-en-2-imine is [H]/N=C(\C)C/C(CC)=C(/C)CCC.
What is the InChIKey of (Z)-4-ethyl-5-methyloct-4-en-2-imine?
The InChIKey is LBUUBGUASHWMFR-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-9(3)11(6-2)8-10(4)12/h12H,5-8H2,1-4H3/b11-9-,12-10+.
What are the key properties of (Z)-4-ethyl-5-methyloct-4-en-2-imine?
(Z)-4-ethyl-5-methyloct-4-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-5-methyloct-4-en-2-imine is sourced from PubChem (CID 126639810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).