2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide

C13H27N3O — CID 79809539

IUPAC2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
SMILESCCN1CCC(CNC(=O)C(N)(CC)CC)C1
InChIInChI=1S/C13H27N3O/c1-4-13(14,5-2)12(17)15-9-11-7-8-16(6-3)10-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIJBOYRPDAOVKKZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide

2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 79809539) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
PubChem CID79809539
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
SMILESCCN1CCC(CNC(=O)C(N)(CC)CC)C1
InChIInChI=1S/C13H27N3O/c1-4-13(14,5-2)12(17)15-9-11-7-8-16(6-3)10-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIJBOYRPDAOVKKZ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
CID 60857032
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052
(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 61205667

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide (CID 79809539) is 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide is CCN1CCC(CNC(=O)C(N)(CC)CC)C1.
What is the InChIKey of 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is IJBOYRPDAOVKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-13(14,5-2)12(17)15-9-11-7-8-16(6-3)10-11/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide?
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 79809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).