(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine

C10H17NO4 — CID 165341663

IUPAC(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine
SMILESCC12OC3(C)OC(C)(OC3(C)O1)C2CN
InChIInChI=1S/C10H17NO4/c1-7-6(5-11)8(2)14-9(3,12-7)10(4,13-7)15-8/h6H,5,11H2,1-4H3
InChIKeyFIJUJDUTSQDEOP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.53
Rot. Bonds1

About (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine

(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine (PubChem CID 165341663) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine.

Molecular Properties

Compound Name(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine
PubChem CID165341663
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine
SMILESCC12OC3(C)OC(C)(OC3(C)O1)C2CN
InChIInChI=1S/C10H17NO4/c1-7-6(5-11)8(2)14-9(3,12-7)10(4,13-7)15-8/h6H,5,11H2,1-4H3
InChIKeyFIJUJDUTSQDEOP-UHFFFAOYSA-N
XLogP0.53
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine?
The IUPAC name of (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine (CID 165341663) is (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine.
What is the SMILES notation for (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine?
The canonical SMILES for (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine is CC12OC3(C)OC(C)(OC3(C)O1)C2CN.
What is the InChIKey of (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine?
The InChIKey is FIJUJDUTSQDEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7-6(5-11)8(2)14-9(3,12-7)10(4,13-7)15-8/h6H,5,11H2,1-4H3.
What are the key properties of (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine?
(1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine has a molecular weight of 215.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5,7-tetramethyl-2,4,6,8-tetraoxatricyclo[3.3.1.03,7]nonan-9-yl)methanamine is sourced from PubChem (CID 165341663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).