2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine

C15H24N2O3 — CID 97459507

IUPAC2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCO[C@H]1CN(Cc2ccoc2)[C@@H]2COC[C@H]12
InChIInChI=1S/C15H24N2O3/c1-16(2)4-6-20-15-8-17(7-12-3-5-18-9-12)14-11-19-10-13(14)15/h3,5,9,13-15H,4,6-8,10-11H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyTYOTVWDQLRXSSH-ZNMIVQPWSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds6

About 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine

2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine (PubChem CID 97459507) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
PubChem CID97459507
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCO[C@H]1CN(Cc2ccoc2)[C@@H]2COC[C@H]12
InChIInChI=1S/C15H24N2O3/c1-16(2)4-6-20-15-8-17(7-12-3-5-18-9-12)14-11-19-10-13(14)15/h3,5,9,13-15H,4,6-8,10-11H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyTYOTVWDQLRXSSH-ZNMIVQPWSA-N
XLogP1.06
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[[(3R,3aR,6aS)-1-(benzenesulfonyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
CID 97459517
[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
CID 134690420
2-[[(3R,3aR,6aS)-1-(1,3-benzodioxol-5-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 97459544
[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
CID 97459521
(3S,3aR,6aS)-1-[(3-methoxyphenyl)methyl]-3-prop-2-enoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 155877326
(4R,4aS,7aS)-1-(furan-3-ylmethyl)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97477513
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378627
3-[[(3R,3aR,6aS)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]methyl]benzonitrile
CID 97459568
(4R,4aR,7aR)-6-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788912
(3R,3aR,6aS)-3-prop-2-enoxy-1-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459527
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine (CID 97459507) is 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine is CN(C)CCO[C@H]1CN(Cc2ccoc2)[C@@H]2COC[C@H]12.
What is the InChIKey of 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine?
The InChIKey is TYOTVWDQLRXSSH-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16(2)4-6-20-15-8-17(7-12-3-5-18-9-12)14-11-19-10-13(14)15/h3,5,9,13-15H,4,6-8,10-11H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine?
2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine has a molecular weight of 280.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,3aR,6aS)-1-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 97459507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).