4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine

C14H20N4 — CID 70637229

IUPAC4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine
SMILESC=C(C1(N)C=CC(N)=CC1)C1(N)C=CC(N)=CC1
InChIInChI=1S/C14H20N4/c1-10(13(17)6-2-11(15)3-7-13)14(18)8-4-12(16)5-9-14/h2-6,8H,1,7,9,15-18H2
InChIKeyZHRPVUPCFJRLKZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.54
Rot. Bonds2

About 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine

4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 70637229) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID70637229
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine
SMILESC=C(C1(N)C=CC(N)=CC1)C1(N)C=CC(N)=CC1
InChIInChI=1S/C14H20N4/c1-10(13(17)6-2-11(15)3-7-13)14(18)8-4-12(16)5-9-14/h2-6,8H,1,7,9,15-18H2
InChIKeyZHRPVUPCFJRLKZ-UHFFFAOYSA-N
XLogP0.54
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine (CID 70637229) is 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine is C=C(C1(N)C=CC(N)=CC1)C1(N)C=CC(N)=CC1.
What is the InChIKey of 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is ZHRPVUPCFJRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(13(17)6-2-11(15)3-7-13)14(18)8-4-12(16)5-9-14/h2-6,8H,1,7,9,15-18H2.
What are the key properties of 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine?
4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 70637229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).