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

C25H30N2 — CID 71235637

IUPAC2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=CC(C3C=CC=CC3)=C(N)CC2)C=CC=CC1NC1=CCCC=C1
InChIInChI=1S/C25H30N2/c1-25(17-9-8-14-24(25)27-21-12-6-3-7-13-21)20-15-16-23(26)22(18-20)19-10-4-2-5-11-19/h2,4-6,8-10,12-14,17-19,24,27H,3,7,11,15-16,26H2,1H3
InChIKeyGBTNIDXMICLDJC-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.38
Rot. Bonds4

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

2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 71235637) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
PubChem CID71235637
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=CC(C3C=CC=CC3)=C(N)CC2)C=CC=CC1NC1=CCCC=C1
InChIInChI=1S/C25H30N2/c1-25(17-9-8-14-24(25)27-21-12-6-3-7-13-21)20-15-16-23(26)22(18-20)19-10-4-2-5-11-19/h2,4-6,8-10,12-14,17-19,24,27H,3,7,11,15-16,26H2,1H3
InChIKeyGBTNIDXMICLDJC-UHFFFAOYSA-N
XLogP5.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-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 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (CID 71235637) is 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is CC1(C2=CC(C3C=CC=CC3)=C(N)CC2)C=CC=CC1NC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is GBTNIDXMICLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-25(17-9-8-14-24(25)27-21-12-6-3-7-13-21)20-15-16-23(26)22(18-20)19-10-4-2-5-11-19/h2,4-6,8-10,12-14,17-19,24,27H,3,7,11,15-16,26H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?
2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 358.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohexa-1,5-dien-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).