(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine

C14H25NO3 — CID 166487542

IUPAC(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine
SMILESCC1(C)CC2OC(CN)C3CC(C)(C)OC3C2O1
InChIInChI=1S/C14H25NO3/c1-13(2)5-8-10(7-15)16-9-6-14(3,4)18-12(9)11(8)17-13/h8-12H,5-7,15H2,1-4H3
InChIKeyPPWJYOUFABBQII-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.46
Rot. Bonds1

About (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine

(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine (PubChem CID 166487542) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine.

Molecular Properties

Compound Name(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine
PubChem CID166487542
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine
SMILESCC1(C)CC2OC(CN)C3CC(C)(C)OC3C2O1
InChIInChI=1S/C14H25NO3/c1-13(2)5-8-10(7-15)16-9-6-14(3,4)18-12(9)11(8)17-13/h8-12H,5-7,15H2,1-4H3
InChIKeyPPWJYOUFABBQII-UHFFFAOYSA-N
XLogP1.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine?
The IUPAC name of (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine (CID 166487542) is (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine.
What is the SMILES notation for (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine?
The canonical SMILES for (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine is CC1(C)CC2OC(CN)C3CC(C)(C)OC3C2O1.
What is the InChIKey of (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine?
The InChIKey is PPWJYOUFABBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2)5-8-10(7-15)16-9-6-14(3,4)18-12(9)11(8)17-13/h8-12H,5-7,15H2,1-4H3.
What are the key properties of (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine?
(4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,11,11-tetramethyl-3,7,12-trioxatricyclo[7.3.0.02,6]dodecan-8-yl)methanamine is sourced from PubChem (CID 166487542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).