cycloocta-1,3,5,7-tetraene-1,5-diamine

C8H10N2 — CID 158390610

IUPACcycloocta-1,3,5,7-tetraene-1,5-diamine
SMILESNC1=CC=CC(N)=CC=C1
InChIInChI=1S/C8H10N2/c9-7-3-1-4-8(10)6-2-5-7/h1-6H,9-10H2
InChIKeyGWXMWAFOVBCXRS-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.80
Rot. Bonds

About cycloocta-1,3,5,7-tetraene-1,5-diamine

cycloocta-1,3,5,7-tetraene-1,5-diamine (PubChem CID 158390610) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is cycloocta-1,3,5,7-tetraene-1,5-diamine.

Molecular Properties

Compound Namecycloocta-1,3,5,7-tetraene-1,5-diamine
PubChem CID158390610
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Namecycloocta-1,3,5,7-tetraene-1,5-diamine
SMILESNC1=CC=CC(N)=CC=C1
InChIInChI=1S/C8H10N2/c9-7-3-1-4-8(10)6-2-5-7/h1-6H,9-10H2
InChIKeyGWXMWAFOVBCXRS-UHFFFAOYSA-N
XLogP0.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(5Z,7E,9Z,11Z)-1H-benzo[9]annulen-7-amine
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CID 145013911
(1S,2S)-1,2-di(cyclobutadienyl)ethane-1,2-diol
CID 102253246
1λ3-iodacyclohepta-2,4,6,7-tetraen-4-amine
CID 176539580
pentalene;vanadium
CID 161032270
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,3,5,7-tetraene-1,5-diamine?
The IUPAC name of cycloocta-1,3,5,7-tetraene-1,5-diamine (CID 158390610) is cycloocta-1,3,5,7-tetraene-1,5-diamine.
What is the SMILES notation for cycloocta-1,3,5,7-tetraene-1,5-diamine?
The canonical SMILES for cycloocta-1,3,5,7-tetraene-1,5-diamine is NC1=CC=CC(N)=CC=C1.
What is the InChIKey of cycloocta-1,3,5,7-tetraene-1,5-diamine?
The InChIKey is GWXMWAFOVBCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-7-3-1-4-8(10)6-2-5-7/h1-6H,9-10H2.
What are the key properties of cycloocta-1,3,5,7-tetraene-1,5-diamine?
cycloocta-1,3,5,7-tetraene-1,5-diamine has a molecular weight of 134.18 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,3,5,7-tetraene-1,5-diamine is sourced from PubChem (CID 158390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).