(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine

C20H30N2 — CID 166983676

IUPAC(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine
SMILESC=C1CC(C)(C)CC(=C)C1=CNC(/C=N/C)=C/C(=C/C)CC
InChIInChI=1S/C20H30N2/c1-8-17(9-2)10-18(13-21-7)22-14-19-15(3)11-20(5,6)12-16(19)4/h8,10,13-14,22H,3-4,9,11-12H2,1-2,5-7H3/b17-8+,18-10+,21-13+
InChIKeyWJCCFFZNGRWKBY-VNORPOISSA-N
MW298.47 g/mol
LogP5.33
Rot. Bonds5

About (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine

(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine (PubChem CID 166983676) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine
PubChem CID166983676
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine
SMILESC=C1CC(C)(C)CC(=C)C1=CNC(/C=N/C)=C/C(=C/C)CC
InChIInChI=1S/C20H30N2/c1-8-17(9-2)10-18(13-21-7)22-14-19-15(3)11-20(5,6)12-16(19)4/h8,10,13-14,22H,3-4,9,11-12H2,1-2,5-7H3/b17-8+,18-10+,21-13+
InChIKeyWJCCFFZNGRWKBY-VNORPOISSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine (CID 166983676) is (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine is C=C1CC(C)(C)CC(=C)C1=CNC(/C=N/C)=C/C(=C/C)CC.
What is the InChIKey of (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine?
The InChIKey is WJCCFFZNGRWKBY-VNORPOISSA-N. The full InChI is InChI=1S/C20H30N2/c1-8-17(9-2)10-18(13-21-7)22-14-19-15(3)11-20(5,6)12-16(19)4/h8,10,13-14,22H,3-4,9,11-12H2,1-2,5-7H3/b17-8+,18-10+,21-13+.
What are the key properties of (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine?
(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine has a molecular weight of 298.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine is sourced from PubChem (CID 166983676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).