(E)-N,4,5-trimethyloct-3-en-2-imine

C11H21N — CID 123948823

IUPAC(E)-N,4,5-trimethyloct-3-en-2-imine
SMILESCCCC(C)/C(C)=C/C(C)=N/C
InChIInChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(4)12-5/h8-9H,6-7H2,1-5H3/b10-8+,12-11+
InChIKeySVKYMXPPMUTJFD-REVVXPLQSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds4

About (E)-N,4,5-trimethyloct-3-en-2-imine

(E)-N,4,5-trimethyloct-3-en-2-imine (PubChem CID 123948823) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N,4,5-trimethyloct-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,4,5-trimethyloct-3-en-2-imine
PubChem CID123948823
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-N,4,5-trimethyloct-3-en-2-imine
SMILESCCCC(C)/C(C)=C/C(C)=N/C
InChIInChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(4)12-5/h8-9H,6-7H2,1-5H3/b10-8+,12-11+
InChIKeySVKYMXPPMUTJFD-REVVXPLQSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,4,5-trimethyloct-3-en-2-imine?
The IUPAC name of (E)-N,4,5-trimethyloct-3-en-2-imine (CID 123948823) is (E)-N,4,5-trimethyloct-3-en-2-imine.
What is the SMILES notation for (E)-N,4,5-trimethyloct-3-en-2-imine?
The canonical SMILES for (E)-N,4,5-trimethyloct-3-en-2-imine is CCCC(C)/C(C)=C/C(C)=N/C.
What is the InChIKey of (E)-N,4,5-trimethyloct-3-en-2-imine?
The InChIKey is SVKYMXPPMUTJFD-REVVXPLQSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(4)12-5/h8-9H,6-7H2,1-5H3/b10-8+,12-11+.
What are the key properties of (E)-N,4,5-trimethyloct-3-en-2-imine?
(E)-N,4,5-trimethyloct-3-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4,5-trimethyloct-3-en-2-imine is sourced from PubChem (CID 123948823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).