3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol

C9H20N2O — CID 115014088

IUPAC3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)(CN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)5-11-4-3-9(12,6-10)7-11/h8,12H,3-7,10H2,1-2H3
InChIKeyPBDYNMDUSJQVPM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds3

About 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol

3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 115014088) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID115014088
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)(CN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)5-11-4-3-9(12,6-10)7-11/h8,12H,3-7,10H2,1-2H3
InChIKeyPBDYNMDUSJQVPM-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol (CID 115014088) is 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CN1CCC(O)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is PBDYNMDUSJQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)5-11-4-3-9(12,6-10)7-11/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 115014088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).