3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol

C9H18N2O — CID 84731876

IUPAC3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CN2CCC2)C1
InChIInChI=1S/C9H18N2O/c1-10-6-3-9(12,7-10)8-11-4-2-5-11/h12H,2-8H2,1H3
InChIKeyPJBANIMCYOWEQV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.24
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol

3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol (PubChem CID 84731876) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
PubChem CID84731876
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CN2CCC2)C1
InChIInChI=1S/C9H18N2O/c1-10-6-3-9(12,7-10)8-11-4-2-5-11/h12H,2-8H2,1H3
InChIKeyPJBANIMCYOWEQV-UHFFFAOYSA-N
XLogP-0.24
TPSA26.71 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 ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
CID 59504968
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 110108874
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol (CID 84731876) is 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(CN2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is PJBANIMCYOWEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-3-9(12,7-10)8-11-4-2-5-11/h12H,2-8H2,1H3.
What are the key properties of 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol?
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 84731876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).