(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine

C9H17NO2 — CID 137446462

IUPAC(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine
SMILESC[C@@H]1CO[C@@]2(C)C1OCC[C@H]2N
InChIInChI=1S/C9H17NO2/c1-6-5-12-9(2)7(10)3-4-11-8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8?,9-/m1/s1
InChIKeyXBNKCVGZXOTMBH-AIPQFCGWSA-N
MW171.24 g/mol
LogP0.53
Rot. Bonds

About (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine

(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine (PubChem CID 137446462) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine.

Molecular Properties

Compound Name(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine
PubChem CID137446462
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine
SMILESC[C@@H]1CO[C@@]2(C)C1OCC[C@H]2N
InChIInChI=1S/C9H17NO2/c1-6-5-12-9(2)7(10)3-4-11-8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8?,9-/m1/s1
InChIKeyXBNKCVGZXOTMBH-AIPQFCGWSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine?
The IUPAC name of (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine (CID 137446462) is (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine.
What is the SMILES notation for (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine?
The canonical SMILES for (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine is C[C@@H]1CO[C@@]2(C)C1OCC[C@H]2N.
What is the InChIKey of (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine?
The InChIKey is XBNKCVGZXOTMBH-AIPQFCGWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-12-9(2)7(10)3-4-11-8(6)9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8?,9-/m1/s1.
What are the key properties of (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine?
(3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine has a molecular weight of 171.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,7aR)-3,7a-dimethyl-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-7-amine is sourced from PubChem (CID 137446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).