1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine

C10H20N2O — CID 163890888

IUPAC1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine
SMILESCNCC1NC(C)C2C(C)OCC12
InChIInChI=1S/C10H20N2O/c1-6-10-7(2)13-5-8(10)9(12-6)4-11-3/h6-12H,4-5H2,1-3H3
InChIKeyQBKZFJJHFCPUTB-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds2

About 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine

1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine (PubChem CID 163890888) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine
PubChem CID163890888
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine
SMILESCNCC1NC(C)C2C(C)OCC12
InChIInChI=1S/C10H20N2O/c1-6-10-7(2)13-5-8(10)9(12-6)4-11-3/h6-12H,4-5H2,1-3H3
InChIKeyQBKZFJJHFCPUTB-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine (CID 163890888) is 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine is CNCC1NC(C)C2C(C)OCC12.
What is the InChIKey of 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine?
The InChIKey is QBKZFJJHFCPUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-10-7(2)13-5-8(10)9(12-6)4-11-3/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine?
1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-6-yl)-N-methylmethanamine is sourced from PubChem (CID 163890888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).