4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol

C12H26N2O — CID 63703686

IUPAC4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
SMILESCC(C)CN(CC(C)C)C1CNCC1O
InChIInChI=1S/C12H26N2O/c1-9(2)7-14(8-10(3)4)11-5-13-6-12(11)15/h9-13,15H,5-8H2,1-4H3
InChIKeyAUISTTODQXBPGD-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.93
Rot. Bonds5

About 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol

4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol (PubChem CID 63703686) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
PubChem CID63703686
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
SMILESCC(C)CN(CC(C)C)C1CNCC1O
InChIInChI=1S/C12H26N2O/c1-9(2)7-14(8-10(3)4)11-5-13-6-12(11)15/h9-13,15H,5-8H2,1-4H3
InChIKeyAUISTTODQXBPGD-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[bis(2-methylpropyl)amino]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 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol (CID 63703686) is 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol is CC(C)CN(CC(C)C)C1CNCC1O.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol?
The InChIKey is AUISTTODQXBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)7-14(8-10(3)4)11-5-13-6-12(11)15/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol?
4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol has a molecular weight of 214.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63703686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).