4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine

C16H22N2 — CID 67008961

IUPAC4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=CC(=C2C=CC(C)(N)C(C)=C2)C=CC1(C)N
InChIInChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3
InChIKeyOUOAFMZIPXCUBR-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.75
Rot. Bonds

About 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine

4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine (PubChem CID 67008961) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
PubChem CID67008961
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine
SMILESCC1=CC(=C2C=CC(C)(N)C(C)=C2)C=CC1(C)N
InChIInChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3
InChIKeyOUOAFMZIPXCUBR-UHFFFAOYSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine (CID 67008961) is 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine is CC1=CC(=C2C=CC(C)(N)C(C)=C2)C=CC1(C)N.
What is the InChIKey of 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
The InChIKey is OUOAFMZIPXCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-9-13(5-7-15(11,3)17)14-6-8-16(4,18)12(2)10-14/h5-10H,17-18H2,1-4H3.
What are the key properties of 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine?
4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-1,2-dimethylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 67008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).