(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine

C19H40N2O4Si2 — CID 10319770

IUPAC(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine
SMILESCC(C)[Si](C)(C)OC[C@H]1N=C(N)[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)C
InChIInChI=1S/C19H40N2O4Si2/c1-12(2)26(7,8)22-11-14-15(25-27(9,10)13(3)4)16-17(18(20)21-14)24-19(5,6)23-16/h12-17H,11H2,1-10H3,(H2,20,21)/t14-,15-,16+,17+/m1/s1
InChIKeyLIXXCUOKUWYZQW-NCOADZHNSA-N
MW416.71 g/mol
LogP3.88
Rot. Bonds7

About (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine

(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine (PubChem CID 10319770) has the molecular formula C19H40N2O4Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine
PubChem CID10319770
Molecular FormulaC19H40N2O4Si2
Molecular Weight416.71 g/mol
Exact Mass416.25
IUPAC Name(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine
SMILESCC(C)[Si](C)(C)OC[C@H]1N=C(N)[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)C
InChIInChI=1S/C19H40N2O4Si2/c1-12(2)26(7,8)22-11-14-15(25-27(9,10)13(3)4)16-17(18(20)21-14)24-19(5,6)23-16/h12-17H,11H2,1-10H3,(H2,20,21)/t14-,15-,16+,17+/m1/s1
InChIKeyLIXXCUOKUWYZQW-NCOADZHNSA-N
XLogP3.88
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine?
The IUPAC name of (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine (CID 10319770) is (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine?
The canonical SMILES for (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine is CC(C)[Si](C)(C)OC[C@H]1N=C(N)[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)C.
What is the InChIKey of (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine?
The InChIKey is LIXXCUOKUWYZQW-NCOADZHNSA-N. The full InChI is InChI=1S/C19H40N2O4Si2/c1-12(2)26(7,8)22-11-14-15(25-27(9,10)13(3)4)16-17(18(20)21-14)24-19(5,6)23-16/h12-17H,11H2,1-10H3,(H2,20,21)/t14-,15-,16+,17+/m1/s1.
What are the key properties of (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine?
(3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine has a molecular weight of 416.71 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,7R,7aR)-7-[dimethyl(propan-2-yl)silyl]oxy-6-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10319770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).