3-methyl-3-(3-methylbut-3-enylamino)butanamide

C10H20N2O — CID 104926886

IUPAC3-methyl-3-(3-methylbut-3-enylamino)butanamide
SMILESC=C(C)CCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O/c1-8(2)5-6-12-10(3,4)7-9(11)13/h12H,1,5-7H2,2-4H3,(H2,11,13)
InChIKeyZQLFEJSBASRWIZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds6

About 3-methyl-3-(3-methylbut-3-enylamino)butanamide

3-methyl-3-(3-methylbut-3-enylamino)butanamide (PubChem CID 104926886) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbut-3-enylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(3-methylbut-3-enylamino)butanamide
PubChem CID104926886
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-3-(3-methylbut-3-enylamino)butanamide
SMILESC=C(C)CCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O/c1-8(2)5-6-12-10(3,4)7-9(11)13/h12H,1,5-7H2,2-4H3,(H2,11,13)
InChIKeyZQLFEJSBASRWIZ-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-3-(3-methylbut-3-enylamino)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

3-(hept-6-enylamino)-3-methylbutanamide
CID 107167055
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
2-(3-methylbut-3-enylamino)acetamide
CID 114471988
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
3-methyl-3-(pent-4-ynylamino)butanamide
CID 104580392
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[[(E)-3-chloroprop-2-enyl]amino]-3-methylbutanamide
CID 104580489
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylbut-3-enylamino)butanamide?
The IUPAC name of 3-methyl-3-(3-methylbut-3-enylamino)butanamide (CID 104926886) is 3-methyl-3-(3-methylbut-3-enylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(3-methylbut-3-enylamino)butanamide?
The canonical SMILES for 3-methyl-3-(3-methylbut-3-enylamino)butanamide is C=C(C)CCNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(3-methylbut-3-enylamino)butanamide?
The InChIKey is ZQLFEJSBASRWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)5-6-12-10(3,4)7-9(11)13/h12H,1,5-7H2,2-4H3,(H2,11,13).
What are the key properties of 3-methyl-3-(3-methylbut-3-enylamino)butanamide?
3-methyl-3-(3-methylbut-3-enylamino)butanamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbut-3-enylamino)butanamide is sourced from PubChem (CID 104926886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).