4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

C26H34N2 — CID 71235670

IUPAC4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=C(N)CCC(C3(C)C=CCCC3NC3=CCCC=C3)=C2)C=CC=CC1
InChIInChI=1S/C26H34N2/c1-25(16-8-4-9-17-25)22-19-20(14-15-23(22)27)26(2)18-10-7-13-24(26)28-21-11-5-3-6-12-21/h4-5,8-12,16,18-19,24,28H,3,6-7,13-15,17,27H2,1-2H3
InChIKeyXYJXLVWSPIWYBN-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.99
Rot. Bonds4

About 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 71235670) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID71235670
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=C(N)CCC(C3(C)C=CCCC3NC3=CCCC=C3)=C2)C=CC=CC1
InChIInChI=1S/C26H34N2/c1-25(16-8-4-9-17-25)22-19-20(14-15-23(22)27)26(2)18-10-7-13-24(26)28-21-11-5-3-6-12-21/h4-5,8-12,16,18-19,24,28H,3,6-7,13-15,17,27H2,1-2H3
InChIKeyXYJXLVWSPIWYBN-UHFFFAOYSA-N
XLogP5.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 71235670) is 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is CC1(C2=C(N)CCC(C3(C)C=CCCC3NC3=CCCC=C3)=C2)C=CC=CC1.
What is the InChIKey of 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is XYJXLVWSPIWYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-25(16-8-4-9-17-25)22-19-20(14-15-23(22)27)26(2)18-10-7-13-24(26)28-21-11-5-3-6-12-21/h4-5,8-12,16,18-19,24,28H,3,6-7,13-15,17,27H2,1-2H3.
What are the key properties of 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 374.57 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohex-2-en-1-yl]-2-(1-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71235670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).