4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine

C16H20N2 — CID 118314913

IUPAC4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine
SMILES[H]N=C1C(C)=CC(=C2C=C(C)C(N)C(C)=C2)C=C1C
InChIInChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,15,18H,17H2,1-4H3/b14-13-,18-16-
InChIKeyCZHUGWWKINNSSR-OICJTPSNSA-N
MW240.35 g/mol
LogP3.44
Rot. Bonds

About 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine

4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine (PubChem CID 118314913) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine
PubChem CID118314913
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine
SMILES[H]N=C1C(C)=CC(=C2C=C(C)C(N)C(C)=C2)C=C1C
InChIInChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,15,18H,17H2,1-4H3/b14-13-,18-16-
InChIKeyCZHUGWWKINNSSR-OICJTPSNSA-N
XLogP3.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.44
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 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine (CID 118314913) is 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine is [H]N=C1C(C)=CC(=C2C=C(C)C(N)C(C)=C2)C=C1C.
What is the InChIKey of 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine?
The InChIKey is CZHUGWWKINNSSR-OICJTPSNSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,15,18H,17H2,1-4H3/b14-13-,18-16-.
What are the key properties of 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine?
4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 118314913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).