1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one

C14H28N2O2 — CID 81418600

IUPAC1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
SMILESCCC(CC)(CO)CNC(C)CN1CCCC1=O
InChIInChI=1S/C14H28N2O2/c1-4-14(5-2,11-17)10-15-12(3)9-16-8-6-7-13(16)18/h12,15,17H,4-11H2,1-3H3
InChIKeySHCOKVZDCYCHPZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds8

About 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one

1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one (PubChem CID 81418600) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
PubChem CID81418600
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
SMILESCCC(CC)(CO)CNC(C)CN1CCCC1=O
InChIInChI=1S/C14H28N2O2/c1-4-14(5-2,11-17)10-15-12(3)9-16-8-6-7-13(16)18/h12,15,17H,4-11H2,1-3H3
InChIKeySHCOKVZDCYCHPZ-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750
1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
CID 116534604
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
CID 63696542
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353
1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
1-[4-(butan-2-ylamino)but-2-ynyl]pyrrolidin-2-one
CID 21390529
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one (CID 81418600) is 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one is CCC(CC)(CO)CNC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is SHCOKVZDCYCHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(5-2,11-17)10-15-12(3)9-16-8-6-7-13(16)18/h12,15,17H,4-11H2,1-3H3.
What are the key properties of 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one?
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 81418600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).