4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine

C12H16N4 — CID 19432158

IUPAC4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine
SMILESNC1(N)C=CC(=C2C=CC(N)(N)C=C2)C=C1
InChIInChI=1S/C12H16N4/c13-11(14)5-1-9(2-6-11)10-3-7-12(15,16)8-4-10/h1-8H,13-16H2
InChIKeyCDIBHUYMESSNFP-UHFFFAOYSA-N
MW216.29 g/mol
LogP-0.24
Rot. Bonds

About 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine

4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine (PubChem CID 19432158) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine.

Molecular Properties

Compound Name4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine
PubChem CID19432158
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine
SMILESNC1(N)C=CC(=C2C=CC(N)(N)C=C2)C=C1
InChIInChI=1S/C12H16N4/c13-11(14)5-1-9(2-6-11)10-3-7-12(15,16)8-4-10/h1-8H,13-16H2
InChIKeyCDIBHUYMESSNFP-UHFFFAOYSA-N
XLogP-0.24
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine?
The IUPAC name of 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine (CID 19432158) is 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine.
What is the SMILES notation for 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine?
The canonical SMILES for 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine is NC1(N)C=CC(=C2C=CC(N)(N)C=C2)C=C1.
What is the InChIKey of 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine?
The InChIKey is CDIBHUYMESSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-11(14)5-1-9(2-6-11)10-3-7-12(15,16)8-4-10/h1-8H,13-16H2.
What are the key properties of 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine?
4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine has a molecular weight of 216.29 g/mol, XLogP of -0.24, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diaminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-diene-1,1-diamine is sourced from PubChem (CID 19432158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).