N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine

C9H18N2O — CID 19960981

IUPACN-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine
SMILESCCNCC12CNCC1COC2
InChIInChI=1S/C9H18N2O/c1-2-10-5-9-6-11-3-8(9)4-12-7-9/h8,10-11H,2-7H2,1H3
InChIKeyFZDRBPOEGRJNJQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.17
Rot. Bonds3

About N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine

N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine (PubChem CID 19960981) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine
PubChem CID19960981
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine
SMILESCCNCC12CNCC1COC2
InChIInChI=1S/C9H18N2O/c1-2-10-5-9-6-11-3-8(9)4-12-7-9/h8,10-11H,2-7H2,1H3
InChIKeyFZDRBPOEGRJNJQ-UHFFFAOYSA-N
XLogP-0.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine?
The IUPAC name of N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine (CID 19960981) is N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine?
The canonical SMILES for N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine is CCNCC12CNCC1COC2.
What is the InChIKey of N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine?
The InChIKey is FZDRBPOEGRJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-10-5-9-6-11-3-8(9)4-12-7-9/h8,10-11H,2-7H2,1H3.
What are the key properties of N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine?
N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine has a molecular weight of 170.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-ylmethyl)ethanamine is sourced from PubChem (CID 19960981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).