(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine

C13H18N2O — CID 57017760

IUPAC(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
SMILESN[C@H]1CN(Cc2ccccc2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C13H18N2O/c14-11-9-15(12-6-7-16-13(11)12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12+,13+/m0/s1
InChIKeyZVZQRSMDNOMGTL-YNEHKIRRSA-N
MW218.30 g/mol
LogP0.99
Rot. Bonds2

About (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine

(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine (PubChem CID 57017760) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine.

Molecular Properties

Compound Name(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
PubChem CID57017760
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
SMILESN[C@H]1CN(Cc2ccccc2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C13H18N2O/c14-11-9-15(12-6-7-16-13(11)12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12+,13+/m0/s1
InChIKeyZVZQRSMDNOMGTL-YNEHKIRRSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine with MolForge

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Related Compounds

(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3R,4S)-1-benzyl-4-(oxan-2-yl)pyrrolidin-3-amine
CID 90405473
4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
CID 82379506
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
(3aR,6aR)-4-benzyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-6-carbonitrile
CID 54130903
(6S)-4-iodo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
CID 167224966
1-benzyl-6-methylpiperidin-3-amine
CID 54593768

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The IUPAC name of (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine (CID 57017760) is (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine.
What is the SMILES notation for (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The canonical SMILES for (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine is N[C@H]1CN(Cc2ccccc2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
The InChIKey is ZVZQRSMDNOMGTL-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-9-15(12-6-7-16-13(11)12)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12+,13+/m0/s1.
What are the key properties of (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine?
(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine has a molecular weight of 218.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine is sourced from PubChem (CID 57017760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).