4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide

C12H27N3O — CID 63055540

IUPAC4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
SMILESCCNC(CCN(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H27N3O/c1-6-14-10(11(13)16)7-8-15(5)9-12(2,3)4/h10,14H,6-9H2,1-5H3,(H2,13,16)
InChIKeyFEJWNCSPWMAZOW-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide

4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide (PubChem CID 63055540) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
PubChem CID63055540
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
SMILESCCNC(CCN(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C12H27N3O/c1-6-14-10(11(13)16)7-8-15(5)9-12(2,3)4/h10,14H,6-9H2,1-5H3,(H2,13,16)
InChIKeyFEJWNCSPWMAZOW-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 63029588
4-[butyl(methyl)amino]-2-(ethylamino)butanamide
CID 63029682
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
4-[cyclopropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63027258
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 55144695
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
2-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
2-(ethylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanamide
CID 63054490

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide?
The IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide (CID 63055540) is 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide?
The canonical SMILES for 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide is CCNC(CCN(C)CC(C)(C)C)C(N)=O.
What is the InChIKey of 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide?
The InChIKey is FEJWNCSPWMAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-14-10(11(13)16)7-8-15(5)9-12(2,3)4/h10,14H,6-9H2,1-5H3,(H2,13,16).
What are the key properties of 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide?
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide is sourced from PubChem (CID 63055540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).