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

C9H18N2O — CID 19960995

IUPAC1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC12CNCC1COC2
InChIInChI=1S/C9H18N2O/c1-11(2)6-9-5-10-3-8(9)4-12-7-9/h8,10H,3-7H2,1-2H3
InChIKeyHSSMURRIIYHIMX-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.22
Rot. Bonds2

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

1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine (PubChem CID 19960995) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine
PubChem CID19960995
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC12CNCC1COC2
InChIInChI=1S/C9H18N2O/c1-11(2)6-9-5-10-3-8(9)4-12-7-9/h8,10H,3-7H2,1-2H3
InChIKeyHSSMURRIIYHIMX-UHFFFAOYSA-N
XLogP-0.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
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,N-dimethylmethanamine?
The IUPAC name of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine (CID 19960995) is 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine is CN(C)CC12CNCC1COC2.
What is the InChIKey of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine?
The InChIKey is HSSMURRIIYHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)6-9-5-10-3-8(9)4-12-7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine?
1-(1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl)-N,N-dimethylmethanamine has a molecular weight of 170.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 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,N-dimethylmethanamine is sourced from PubChem (CID 19960995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).