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

C13H28N2O — CID 64721493

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
SMILESCCN(CC)C1CCN(C(C)CC(C)O)C1
InChIInChI=1S/C13H28N2O/c1-5-14(6-2)13-7-8-15(10-13)11(3)9-12(4)16/h11-13,16H,5-10H2,1-4H3
InChIKeyUKKJKJKEYYVWCR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.56
Rot. Bonds6

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

4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol (PubChem CID 64721493) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
PubChem CID64721493
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
SMILESCCN(CC)C1CCN(C(C)CC(C)O)C1
InChIInChI=1S/C13H28N2O/c1-5-14(6-2)13-7-8-15(10-13)11(3)9-12(4)16/h11-13,16H,5-10H2,1-4H3
InChIKeyUKKJKJKEYYVWCR-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

4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537676
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
3-amino-2-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpentan-1-ol
CID 114357224
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 63169579
N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055142
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 63166974
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol (CID 64721493) is 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol is CCN(CC)C1CCN(C(C)CC(C)O)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol?
The InChIKey is UKKJKJKEYYVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14(6-2)13-7-8-15(10-13)11(3)9-12(4)16/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol?
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-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]pentan-2-ol is sourced from PubChem (CID 64721493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).