7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine

C10H13NO2 — CID 134382903

IUPAC7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
SMILESCC1=C(N)C=C2OCCOC2=CC1
InChIInChI=1S/C10H13NO2/c1-7-2-3-9-10(6-8(7)11)13-5-4-12-9/h3,6H,2,4-5,11H2,1H3
InChIKeyBBIBDEPRIBYRIV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.44
Rot. Bonds

About 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine

7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine (PubChem CID 134382903) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine.

Molecular Properties

Compound Name7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
PubChem CID134382903
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
SMILESCC1=C(N)C=C2OCCOC2=CC1
InChIInChI=1S/C10H13NO2/c1-7-2-3-9-10(6-8(7)11)13-5-4-12-9/h3,6H,2,4-5,11H2,1H3
InChIKeyBBIBDEPRIBYRIV-UHFFFAOYSA-N
XLogP1.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086038
2-(2-Methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086039
2-(2-Methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine
CID 144761130
6,6-Dimethyl-2,3-dihydrocyclohepta[b][1,4]dioxin-9-amine
CID 145508766
2,3-Dimethoxycyclohexa-1,3-dien-1-amine
CID 173240380

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The IUPAC name of 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine (CID 134382903) is 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine.
What is the SMILES notation for 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The canonical SMILES for 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine is CC1=C(N)C=C2OCCOC2=CC1.
What is the InChIKey of 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
The InChIKey is BBIBDEPRIBYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-3-9-10(6-8(7)11)13-5-4-12-9/h3,6H,2,4-5,11H2,1H3.
What are the key properties of 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine?
7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine has a molecular weight of 179.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine is sourced from PubChem (CID 134382903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).