N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene

C24H28N2 — CID 142189175

IUPACN-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESC=C/N=C/c1ccnc(CC)c1.CC1=CCCC(c2cccc(C)c2)=C1
InChIInChI=1S/C14H16.C10H12N2/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-3-10-7-9(5-6-12-10)8-11-4-2/h3,5-7,9-10H,4,8H2,1-2H3;4-8H,2-3H2,1H3/b;11-8+
InChIKeyLPTGLHADDKNJNR-IBMQDACXSA-N
MW344.50 g/mol
LogP6.32
Rot. Bonds4

About N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene

N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 142189175) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound NameN-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID142189175
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESC=C/N=C/c1ccnc(CC)c1.CC1=CCCC(c2cccc(C)c2)=C1
InChIInChI=1S/C14H16.C10H12N2/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-3-10-7-9(5-6-12-10)8-11-4-2/h3,5-7,9-10H,4,8H2,1-2H3;4-8H,2-3H2,1H3/b;11-8+
InChIKeyLPTGLHADDKNJNR-IBMQDACXSA-N
XLogP6.32
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene (CID 142189175) is N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene is C=C/N=C/c1ccnc(CC)c1.CC1=CCCC(c2cccc(C)c2)=C1.
What is the InChIKey of N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is LPTGLHADDKNJNR-IBMQDACXSA-N. The full InChI is InChI=1S/C14H16.C10H12N2/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-3-10-7-9(5-6-12-10)8-11-4-2/h3,5-7,9-10H,4,8H2,1-2H3;4-8H,2-3H2,1H3/b;11-8+.
What are the key properties of N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 344.50 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(2-ethyl-4-pyridinyl)methanimine;1-methyl-3-(3-methylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 142189175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).