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

C8H16N2O — CID 19960998

IUPAC1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine
SMILESCNCC12CNCC1COC2
InChIInChI=1S/C8H16N2O/c1-9-4-8-5-10-2-7(8)3-11-6-8/h7,9-10H,2-6H2,1H3
InChIKeyGBMPOQWNWMMVMN-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.56
Rot. Bonds2

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

1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine (PubChem CID 19960998) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine
PubChem CID19960998
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine
SMILESCNCC12CNCC1COC2
InChIInChI=1S/C8H16N2O/c1-9-4-8-5-10-2-7(8)3-11-6-8/h7,9-10H,2-6H2,1H3
InChIKeyGBMPOQWNWMMVMN-UHFFFAOYSA-N
XLogP-0.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine (CID 19960998) is 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine is CNCC12CNCC1COC2.
What is the InChIKey of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine?
The InChIKey is GBMPOQWNWMMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-4-8-5-10-2-7(8)3-11-6-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine?
1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine has a molecular weight of 156.23 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N-methylmethanamine is sourced from PubChem (CID 19960998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).