N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine

C13H17N — CID 142943375

IUPACN-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine
SMILESC=C/N=C/C1=CCC=C(CC)C(C)=C1
InChIInChI=1S/C13H17N/c1-4-13-8-6-7-12(9-11(13)3)10-14-5-2/h5,7-10H,2,4,6H2,1,3H3/b14-10+
InChIKeyQCMGXDNSSKGWFV-GXDHUFHOSA-N
MW187.29 g/mol
LogP3.81
Rot. Bonds3

About N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine

N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine (PubChem CID 142943375) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine.

Molecular Properties

Compound NameN-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine
PubChem CID142943375
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine
SMILESC=C/N=C/C1=CCC=C(CC)C(C)=C1
InChIInChI=1S/C13H17N/c1-4-13-8-6-7-12(9-11(13)3)10-14-5-2/h5,7-10H,2,4,6H2,1,3H3/b14-10+
InChIKeyQCMGXDNSSKGWFV-GXDHUFHOSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.81
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-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine?
The IUPAC name of N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine (CID 142943375) is N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine.
What is the SMILES notation for N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine?
The canonical SMILES for N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine is C=C/N=C/C1=CCC=C(CC)C(C)=C1.
What is the InChIKey of N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine?
The InChIKey is QCMGXDNSSKGWFV-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17N/c1-4-13-8-6-7-12(9-11(13)3)10-14-5-2/h5,7-10H,2,4,6H2,1,3H3/b14-10+.
What are the key properties of N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine?
N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine has a molecular weight of 187.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine is sourced from PubChem (CID 142943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).