1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one

C14H28N2O2 — CID 54865922

IUPAC1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCOC(C)(C)CC(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C14H28N2O2/c1-11(9-14(3,4)18-5)15-12(2)10-16-8-6-7-13(16)17/h11-12,15H,6-10H2,1-5H3
InChIKeyGVCBKDVYTXCIGC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one

1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 54865922) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
PubChem CID54865922
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCOC(C)(C)CC(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C14H28N2O2/c1-11(9-14(3,4)18-5)15-12(2)10-16-8-6-7-13(16)17/h11-12,15H,6-10H2,1-5H3
InChIKeyGVCBKDVYTXCIGC-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
CID 63696542
1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
CID 116534604
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one (CID 54865922) is 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one is COC(C)(C)CC(C)NC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is GVCBKDVYTXCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(9-14(3,4)18-5)15-12(2)10-16-8-6-7-13(16)17/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one?
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).