3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol

C11H24N2O — CID 62468880

IUPAC3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCCCN1CCCC1CCCO
InChIInChI=1S/C11H24N2O/c1-12-7-4-9-13-8-2-5-11(13)6-3-10-14/h11-12,14H,2-10H2,1H3
InChIKeyFQBRJFXFVYRGIV-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds7

About 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468880) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62468880
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCCCN1CCCC1CCCO
InChIInChI=1S/C11H24N2O/c1-12-7-4-9-13-8-2-5-11(13)6-3-10-14/h11-12,14H,2-10H2,1H3
InChIKeyFQBRJFXFVYRGIV-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62468880) is 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol is CNCCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FQBRJFXFVYRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-12-7-4-9-13-8-2-5-11(13)6-3-10-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(methylamino)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).