cyclohexa-3,5-diene-1,3-diamine

C6H10N2 — CID 23462778

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

About cyclohexa-3,5-diene-1,3-diamine

cyclohexa-3,5-diene-1,3-diamine (PubChem CID 23462778) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,3-diamine
PubChem CID23462778
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namecyclohexa-3,5-diene-1,3-diamine
SMILESNC1=CC=CC(N)C1
InChIInChI=1S/C6H10N2/c7-5-2-1-3-6(8)4-5/h1-3,5H,4,7-8H2
InChIKeyFZOZZTMJYXSICC-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-3,5-diene-1,3-diamine?
The IUPAC name of cyclohexa-3,5-diene-1,3-diamine (CID 23462778) is cyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for cyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for cyclohexa-3,5-diene-1,3-diamine is NC1=CC=CC(N)C1.
What is the InChIKey of cyclohexa-3,5-diene-1,3-diamine?
The InChIKey is FZOZZTMJYXSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-2-1-3-6(8)4-5/h1-3,5H,4,7-8H2.
What are the key properties of cyclohexa-3,5-diene-1,3-diamine?
cyclohexa-3,5-diene-1,3-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-3,5-diene-1,3-diamine is sourced from PubChem (CID 23462778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).