(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine

C16H23N — CID 171832993

IUPAC(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESCC/C(C)=C/N=C1\C=CC=C\C1=C(\C)C(C)C
InChIInChI=1S/C16H23N/c1-6-13(4)11-17-16-10-8-7-9-15(16)14(5)12(2)3/h7-12H,6H2,1-5H3/b13-11+,15-14+,17-16+
InChIKeyREEGFXTUUDJWQT-HDUXXTPJSA-N
MW229.37 g/mol
LogP4.84
Rot. Bonds3

About (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine

(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine (PubChem CID 171832993) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine
PubChem CID171832993
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESCC/C(C)=C/N=C1\C=CC=C\C1=C(\C)C(C)C
InChIInChI=1S/C16H23N/c1-6-13(4)11-17-16-10-8-7-9-15(16)14(5)12(2)3/h7-12H,6H2,1-5H3/b13-11+,15-14+,17-16+
InChIKeyREEGFXTUUDJWQT-HDUXXTPJSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.84
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 (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine (CID 171832993) is (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine is CC/C(C)=C/N=C1\C=CC=C\C1=C(\C)C(C)C.
What is the InChIKey of (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is REEGFXTUUDJWQT-HDUXXTPJSA-N. The full InChI is InChI=1S/C16H23N/c1-6-13(4)11-17-16-10-8-7-9-15(16)14(5)12(2)3/h7-12H,6H2,1-5H3/b13-11+,15-14+,17-16+.
What are the key properties of (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
(6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 171832993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).