2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide

C11H25N3O — CID 119506343

IUPAC2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide
SMILESCCNCCNC(=O)C(C(C)C)N(C)C
InChIInChI=1S/C11H25N3O/c1-6-12-7-8-13-11(15)10(9(2)3)14(4)5/h9-10,12H,6-8H2,1-5H3,(H,13,15)
InChIKeyMINJDEVOSGAWBF-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.30
Rot. Bonds7

About 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide

2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide (PubChem CID 119506343) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide
PubChem CID119506343
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide
SMILESCCNCCNC(=O)C(C(C)C)N(C)C
InChIInChI=1S/C11H25N3O/c1-6-12-7-8-13-11(15)10(9(2)3)14(4)5/h9-10,12H,6-8H2,1-5H3,(H,13,15)
InChIKeyMINJDEVOSGAWBF-UHFFFAOYSA-N
XLogP0.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 145134937
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492
2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide
CID 171522852
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401
(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
CID 97027520
2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
CID 118423165
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429060
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide (CID 119506343) is 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide is CCNCCNC(=O)C(C(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide?
The InChIKey is MINJDEVOSGAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-12-7-8-13-11(15)10(9(2)3)14(4)5/h9-10,12H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide?
2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 119506343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).