3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol

C9H20N2O — CID 58293400

IUPAC3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
SMILESCNC1(CCCO)CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-9(4-3-7-12)5-6-11(2)8-9/h10,12H,3-8H2,1-2H3
InChIKeyQCROYOGEBYFPOT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds4

About 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol

3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol (PubChem CID 58293400) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
PubChem CID58293400
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol
SMILESCNC1(CCCO)CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-9(4-3-7-12)5-6-11(2)8-9/h10,12H,3-8H2,1-2H3
InChIKeyQCROYOGEBYFPOT-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol (CID 58293400) is 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol is CNC1(CCCO)CCN(C)C1.
What is the InChIKey of 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
The InChIKey is QCROYOGEBYFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-9(4-3-7-12)5-6-11(2)8-9/h10,12H,3-8H2,1-2H3.
What are the key properties of 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol?
3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-3-(methylamino)pyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 58293400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).