N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine

C14H19N — CID 123335015

IUPACN-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC=CCC1(C)C(=C)CC
InChIInChI=1S/C14H19N/c1-6-11(2)14(4)10-8-7-9-13(14)12(3)15-5/h7-9H,2-3,5-6,10H2,1,4H3
InChIKeyZNPYHOKVPOPIRL-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine

N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine (PubChem CID 123335015) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
PubChem CID123335015
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC=CCC1(C)C(=C)CC
InChIInChI=1S/C14H19N/c1-6-11(2)14(4)10-8-7-9-13(14)12(3)15-5/h7-9H,2-3,5-6,10H2,1,4H3
InChIKeyZNPYHOKVPOPIRL-UHFFFAOYSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
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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Related Compounds

N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
CID 20532021
N-(2-tert-butyl-6-methylidenecyclohexa-1,3-dien-1-yl)methanimine
CID 56638694
N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
N-[1-(6-but-1-en-2-ylcyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 90900777
3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
CID 129295409
3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine
CID 129309696
(4Z,5E)-2-ethyl-3,3-dimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-5-prop-2-enylidenepyrrole
CID 130220120
N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
CID 130437085
N-[2-methyl-4-[(E)-4-methylhex-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 132096041
N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
CID 134172267
N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
CID 135280943
N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
CID 138690799

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine (CID 123335015) is N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine is C=NC(=C)C1=CC=CCC1(C)C(=C)CC.
What is the InChIKey of N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The InChIKey is ZNPYHOKVPOPIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-6-11(2)14(4)10-8-7-9-13(14)12(3)15-5/h7-9H,2-3,5-6,10H2,1,4H3.
What are the key properties of N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine has a molecular weight of 201.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 123335015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).