(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

C13H23NO3 — CID 23256231

IUPAC(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-15-11-8-17-12-10(7-16-13(11)12)14-9-5-3-2-4-6-9/h9-14H,2-8H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeySFQVDCJTQOWCHE-WUHRBBMRSA-N
MW241.33 g/mol
LogP1.09
Rot. Bonds3

About (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (PubChem CID 23256231) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.

Molecular Properties

Compound Name(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
PubChem CID23256231
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-15-11-8-17-12-10(7-16-13(11)12)14-9-5-3-2-4-6-9/h9-14H,2-8H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeySFQVDCJTQOWCHE-WUHRBBMRSA-N
XLogP1.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The IUPAC name of (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (CID 23256231) is (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.
What is the SMILES notation for (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The canonical SMILES for (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC1CCCCC1.
What is the InChIKey of (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The InChIKey is SFQVDCJTQOWCHE-WUHRBBMRSA-N. The full InChI is InChI=1S/C13H23NO3/c1-15-11-8-17-12-10(7-16-13(11)12)14-9-5-3-2-4-6-9/h9-14H,2-8H2,1H3/t10-,11-,12+,13+/m0/s1.
What are the key properties of (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine has a molecular weight of 241.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is sourced from PubChem (CID 23256231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).