N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine

C20H30N2 — CID 143238386

IUPACN-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine
SMILESC=NC.CC1=CCC=CC=C1.CCN(C)c1ccc(C)cc1
InChIInChI=1S/C10H15N.C8H10.C2H5N/c1-4-11(3)10-7-5-9(2)6-8-10;1-8-6-4-2-3-5-7-8;1-3-2/h5-8H,4H2,1-3H3;2-4,6-7H,5H2,1H3;1H2,2H3
InChIKeyJFZZBDZJBACWMV-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.22
Rot. Bonds2

About N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine

N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine (PubChem CID 143238386) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine.

Molecular Properties

Compound NameN-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine
PubChem CID143238386
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine
SMILESC=NC.CC1=CCC=CC=C1.CCN(C)c1ccc(C)cc1
InChIInChI=1S/C10H15N.C8H10.C2H5N/c1-4-11(3)10-7-5-9(2)6-8-10;1-8-6-4-2-3-5-7-8;1-3-2/h5-8H,4H2,1-3H3;2-4,6-7H,5H2,1H3;1H2,2H3
InChIKeyJFZZBDZJBACWMV-UHFFFAOYSA-N
XLogP5.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine?
The IUPAC name of N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine (CID 143238386) is N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine.
What is the SMILES notation for N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine?
The canonical SMILES for N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine is C=NC.CC1=CCC=CC=C1.CCN(C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine?
The InChIKey is JFZZBDZJBACWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C8H10.C2H5N/c1-4-11(3)10-7-5-9(2)6-8-10;1-8-6-4-2-3-5-7-8;1-3-2/h5-8H,4H2,1-3H3;2-4,6-7H,5H2,1H3;1H2,2H3.
What are the key properties of N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine?
N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine has a molecular weight of 298.47 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine is sourced from PubChem (CID 143238386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).