4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol

C10H22N2O — CID 63702364

IUPAC4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
SMILESCCCC(C)N(C)C1CNCC1O
InChIInChI=1S/C10H22N2O/c1-4-5-8(2)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3
InChIKeyHFFDDNDTYOXAEF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds4

About 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol

4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol (PubChem CID 63702364) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
PubChem CID63702364
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
SMILESCCCC(C)N(C)C1CNCC1O
InChIInChI=1S/C10H22N2O/c1-4-5-8(2)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3
InChIKeyHFFDDNDTYOXAEF-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol (CID 63702364) is 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol is CCCC(C)N(C)C1CNCC1O.
What is the InChIKey of 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol?
The InChIKey is HFFDDNDTYOXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-8(2)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol?
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63702364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).