N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine

C12H15N — CID 138461755

IUPACN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine
SMILESC=N/C=C(C)\C(C)=C1\C=CC=CC1
InChIInChI=1S/C12H15N/c1-10(9-13-3)11(2)12-7-5-4-6-8-12/h4-7,9H,3,8H2,1-2H3/b10-9-,12-11-
InChIKeyINAMDYNDVVSVMT-BASFJDSNSA-N
MW173.26 g/mol
LogP3.42
Rot. Bonds2

About N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine

N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine (PubChem CID 138461755) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine
PubChem CID138461755
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine
SMILESC=N/C=C(C)\C(C)=C1\C=CC=CC1
InChIInChI=1S/C12H15N/c1-10(9-13-3)11(2)12-7-5-4-6-8-12/h4-7,9H,3,8H2,1-2H3/b10-9-,12-11-
InChIKeyINAMDYNDVVSVMT-BASFJDSNSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.42
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 N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine?
The IUPAC name of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine (CID 138461755) is N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine is C=N/C=C(C)\C(C)=C1\C=CC=CC1.
What is the InChIKey of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine?
The InChIKey is INAMDYNDVVSVMT-BASFJDSNSA-N. The full InChI is InChI=1S/C12H15N/c1-10(9-13-3)11(2)12-7-5-4-6-8-12/h4-7,9H,3,8H2,1-2H3/b10-9-,12-11-.
What are the key properties of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine?
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine has a molecular weight of 173.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine is sourced from PubChem (CID 138461755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).