3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine

C9H11NO2 — CID 138711311

IUPAC3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
SMILESNC1=CC2=C(C=CC1)OCCO2
InChIInChI=1S/C9H11NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h1,3,6H,2,4-5,10H2
InChIKeyHVQUIACIQDUVRB-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.05
Rot. Bonds

About 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine

3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine (PubChem CID 138711311) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine.

Molecular Properties

Compound Name3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
PubChem CID138711311
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
SMILESNC1=CC2=C(C=CC1)OCCO2
InChIInChI=1S/C9H11NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h1,3,6H,2,4-5,10H2
InChIKeyHVQUIACIQDUVRB-UHFFFAOYSA-N
XLogP1.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The IUPAC name of 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine (CID 138711311) is 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine.
What is the SMILES notation for 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The canonical SMILES for 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine is NC1=CC2=C(C=CC1)OCCO2.
What is the InChIKey of 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The InChIKey is HVQUIACIQDUVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-7-2-1-3-8-9(6-7)12-5-4-11-8/h1,3,6H,2,4-5,10H2.
What are the key properties of 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine has a molecular weight of 165.19 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine is sourced from PubChem (CID 138711311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).