(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine

C14H17N — CID 138745463

IUPAC(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C(\C=C)C(C)C
InChIInChI=1S/C14H17N/c1-5-12(11(3)4)13-9-7-8-10-14(13)15-6-2/h5-11H,1-2H2,3-4H3/b13-12+,15-14+
InChIKeyPTMOJKBCSHZYOD-SQIWNDBBSA-N
MW199.30 g/mol
LogP3.84
Rot. Bonds3

About (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine

(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 138745463) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
PubChem CID138745463
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C(\C=C)C(C)C
InChIInChI=1S/C14H17N/c1-5-12(11(3)4)13-9-7-8-10-14(13)15-6-2/h5-11H,1-2H2,3-4H3/b13-12+,15-14+
InChIKeyPTMOJKBCSHZYOD-SQIWNDBBSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.84
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 (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine (CID 138745463) is (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine is C=C/N=C1\C=CC=C\C1=C(\C=C)C(C)C.
What is the InChIKey of (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is PTMOJKBCSHZYOD-SQIWNDBBSA-N. The full InChI is InChI=1S/C14H17N/c1-5-12(11(3)4)13-9-7-8-10-14(13)15-6-2/h5-11H,1-2H2,3-4H3/b13-12+,15-14+.
What are the key properties of (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
(6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-ethenyl-6-(4-methylpent-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 138745463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).