7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C17H26N2O2 — CID 43613817

IUPAC7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1cc2c(cc1N)OCCO2)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-19(14-6-4-2-3-5-7-14)12-13-10-16-17(11-15(13)18)21-9-8-20-16/h10-11,14H,2-9,12,18H2,1H3
InChIKeyZZANPANNHDOPCI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds3

About 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43613817) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43613817
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1cc2c(cc1N)OCCO2)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-19(14-6-4-2-3-5-7-14)12-13-10-16-17(11-15(13)18)21-9-8-20-16/h10-11,14H,2-9,12,18H2,1H3
InChIKeyZZANPANNHDOPCI-UHFFFAOYSA-N
XLogP3.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43613817) is 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CN(Cc1cc2c(cc1N)OCCO2)C1CCCCCC1.
What is the InChIKey of 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is ZZANPANNHDOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(14-6-4-2-3-5-7-14)12-13-10-16-17(11-15(13)18)21-9-8-20-16/h10-11,14H,2-9,12,18H2,1H3.
What are the key properties of 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 290.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43613817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).