N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine

C16H26N2O2 — CID 97379394

IUPACN-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1
InChIInChI=1S/C16H26N2O2/c1-12(2)17(3)9-15-7-13-8-18(11-16(13)20-15)10-14-5-4-6-19-14/h4-6,12-13,15-16H,7-11H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeySIBHYXQXPRBGCI-BMFZPTHFSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds5

About N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine

N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine (PubChem CID 97379394) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
PubChem CID97379394
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1
InChIInChI=1S/C16H26N2O2/c1-12(2)17(3)9-15-7-13-8-18(11-16(13)20-15)10-14-5-4-6-19-14/h4-6,12-13,15-16H,7-11H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeySIBHYXQXPRBGCI-BMFZPTHFSA-N
XLogP2.21
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine (CID 97379394) is N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1.
What is the InChIKey of N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is SIBHYXQXPRBGCI-BMFZPTHFSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)17(3)9-15-7-13-8-18(11-16(13)20-15)10-14-5-4-6-19-14/h4-6,12-13,15-16H,7-11H2,1-3H3/t13-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 97379394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).