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

C10H22N2O — CID 63701583

IUPAC4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
SMILESCCN(CC(C)C)C1CNCC1O
InChIInChI=1S/C10H22N2O/c1-4-12(7-8(2)3)9-5-11-6-10(9)13/h8-11,13H,4-7H2,1-3H3
InChIKeyOXNXZVMJLOOGCX-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds4

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

4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol (PubChem CID 63701583) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
PubChem CID63701583
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
SMILESCCN(CC(C)C)C1CNCC1O
InChIInChI=1S/C10H22N2O/c1-4-12(7-8(2)3)9-5-11-6-10(9)13/h8-11,13H,4-7H2,1-3H3
InChIKeyOXNXZVMJLOOGCX-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol (CID 63701583) is 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol is CCN(CC(C)C)C1CNCC1O.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol?
The InChIKey is OXNXZVMJLOOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-12(7-8(2)3)9-5-11-6-10(9)13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol?
4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63701583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).