N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine

C12H17N — CID 91443092

IUPACN-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC=CC1=C(C)C=CCC(C)C1
InChIInChI=1S/C12H17N/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h4,6-8,10H,3,5,9H2,1-2H3
InChIKeyUTIJMXFUULYARN-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds2

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

N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine (PubChem CID 91443092) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
PubChem CID91443092
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC=CC1=C(C)C=CCC(C)C1
InChIInChI=1S/C12H17N/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h4,6-8,10H,3,5,9H2,1-2H3
InChIKeyUTIJMXFUULYARN-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,6Z)-7-fluoro-2,3,6-trimethylundeca-1,6,10-trienyl]methanimine
CID 146577720
N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
CID 167004090
1-Methyl-4-pentan-3-ylazepine
CID 66910894
2,5-dimethyl-3-(2-methylpropyl)-3H-azepine
CID 67560504
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine
CID 88885338
3-Methyl-3-propan-2-yl-4-propylazepine
CID 91291807
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
CID 91475759
N-(4,7-dimethylocta-1,3-dienyl)methanimine
CID 91592171
9-methyl-6,7-dihydro-5aH-3-benzazepine
CID 123380171
3-Hexan-3-yl-3-methylazepine
CID 123398492
N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
CID 123478687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine (CID 91443092) is N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine is C=NC=CC1=C(C)C=CCC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The InChIKey is UTIJMXFUULYARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-4-6-11(2)12(9-10)7-8-13-3/h4,6-8,10H,3,5,9H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 91443092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).