6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine

C20H24N2 — CID 129238096

IUPAC6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILES[H]/N=C(\C1C=CC(C2=CCCC=C2)=CC1)C1CC=CC=C1NC
InChIInChI=1S/C20H24N2/c1-22-19-10-6-5-9-18(19)20(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h3,5-8,10-13,17-18,21-22H,2,4,9,14H2,1H3/b21-20+
InChIKeyDVMSUXRYCOHQOH-QZQOTICOSA-N
MW292.43 g/mol
LogP4.46
Rot. Bonds4

About 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine

6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 129238096) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID129238096
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILES[H]/N=C(\C1C=CC(C2=CCCC=C2)=CC1)C1CC=CC=C1NC
InChIInChI=1S/C20H24N2/c1-22-19-10-6-5-9-18(19)20(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h3,5-8,10-13,17-18,21-22H,2,4,9,14H2,1H3/b21-20+
InChIKeyDVMSUXRYCOHQOH-QZQOTICOSA-N
XLogP4.46
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
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 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 129238096) is 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine is [H]/N=C(\C1C=CC(C2=CCCC=C2)=CC1)C1CC=CC=C1NC.
What is the InChIKey of 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is DVMSUXRYCOHQOH-QZQOTICOSA-N. The full InChI is InChI=1S/C20H24N2/c1-22-19-10-6-5-9-18(19)20(21)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h3,5-8,10-13,17-18,21-22H,2,4,9,14H2,1H3/b21-20+.
What are the key properties of 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine?
6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 129238096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).