4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one

C10H21N3O — CID 106182603

IUPAC4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
SMILESCC(C)(C)NCCNC1CNC(=O)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-5-4-11-8-6-9(14)12-7-8/h8,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyORAYYJUNLSHORU-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.15
Rot. Bonds4

About 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one

4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one (PubChem CID 106182603) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
PubChem CID106182603
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
SMILESCC(C)(C)NCCNC1CNC(=O)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-5-4-11-8-6-9(14)12-7-8/h8,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyORAYYJUNLSHORU-UHFFFAOYSA-N
XLogP-0.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
1-[2-[(5-oxopyrrolidin-3-yl)amino]ethyl]imidazolidin-2-one
CID 106189480
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
CID 104665410
5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
CID 106188995
4-[(1-methylpiperidin-4-yl)methylamino]pyrrolidin-2-one
CID 106184277
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 106189314

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one?
The IUPAC name of 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one (CID 106182603) is 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one is CC(C)(C)NCCNC1CNC(=O)C1.
What is the InChIKey of 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one?
The InChIKey is ORAYYJUNLSHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)13-5-4-11-8-6-9(14)12-7-8/h8,11,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one?
4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 106182603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).