2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide

C9H21N3O — CID 62641335

IUPAC2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
SMILESCCC(N)C(=O)NCCN(C)CC
InChIInChI=1S/C9H21N3O/c1-4-8(10)9(13)11-6-7-12(3)5-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyBMRFFWNKCXYAFG-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds6

About 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide

2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide (PubChem CID 62641335) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
PubChem CID62641335
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
SMILESCCC(N)C(=O)NCCN(C)CC
InChIInChI=1S/C9H21N3O/c1-4-8(10)9(13)11-6-7-12(3)5-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyBMRFFWNKCXYAFG-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide?
The IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide (CID 62641335) is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide?
The canonical SMILES for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide is CCC(N)C(=O)NCCN(C)CC.
What is the InChIKey of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide?
The InChIKey is BMRFFWNKCXYAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-8(10)9(13)11-6-7-12(3)5-2/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide?
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide is sourced from PubChem (CID 62641335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).