cyclohexa-1,5-diene-1,4-diamine

C6H10N2 — CID 22237756

IUPACcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)C=C1
InChIInChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-3,6H,4,7-8H2
InChIKeyYHIBTPHFIKHKSY-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.12
Rot. Bonds

About cyclohexa-1,5-diene-1,4-diamine

cyclohexa-1,5-diene-1,4-diamine (PubChem CID 22237756) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Namecyclohexa-1,5-diene-1,4-diamine
PubChem CID22237756
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namecyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)C=C1
InChIInChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-3,6H,4,7-8H2
InChIKeyYHIBTPHFIKHKSY-UHFFFAOYSA-N
XLogP0.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of cyclohexa-1,5-diene-1,4-diamine (CID 22237756) is cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for cyclohexa-1,5-diene-1,4-diamine is NC1=CCC(N)C=C1.
What is the InChIKey of cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is YHIBTPHFIKHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-3,6H,4,7-8H2.
What are the key properties of cyclohexa-1,5-diene-1,4-diamine?
cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 110.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 22237756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).