(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide

C10H23N3O — CID 62642428

IUPAC(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
SMILESCCN(C)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H23N3O/c1-5-13(4)7-6-12-10(14)9(11)8(2)3/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyGWVGOIAEBJJJLM-VIFPVBQESA-N
MW201.31 g/mol
LogP0.04
Rot. Bonds6

About (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide (PubChem CID 62642428) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
PubChem CID62642428
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
SMILESCCN(C)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H23N3O/c1-5-13(4)7-6-12-10(14)9(11)8(2)3/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyGWVGOIAEBJJJLM-VIFPVBQESA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-ethylamino]propanoic acid
CID 82962276
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide (CID 62642428) is (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide is CCN(C)CCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is GWVGOIAEBJJJLM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-13(4)7-6-12-10(14)9(11)8(2)3/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 62642428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).