4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol

C13H28N2O — CID 79361989

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCCN(CC)C1CCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-5-15(6-2)12-7-9-14(11-12)10-8-13(3,4)16/h12,16H,5-11H2,1-4H3
InChIKeyHTIMNTHTGFXLRQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.56
Rot. Bonds6

About 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol

4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79361989) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
PubChem CID79361989
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCCN(CC)C1CCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-5-15(6-2)12-7-9-14(11-12)10-8-13(3,4)16/h12,16H,5-11H2,1-4H3
InChIKeyHTIMNTHTGFXLRQ-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol (CID 79361989) is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol is CCN(CC)C1CCN(CCC(C)(C)O)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is HTIMNTHTGFXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15(6-2)12-7-9-14(11-12)10-8-13(3,4)16/h12,16H,5-11H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol?
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79361989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).