3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide

C12H26N2O — CID 102672659

IUPAC3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-8-14-9-12(4,5)10(15)13-6/h14H,7-9H2,1-6H3,(H,13,15)
InChIKeyJDMXFXFPTSXGCO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.78
Rot. Bonds5

About 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide

3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide (PubChem CID 102672659) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
PubChem CID102672659
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCCC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-8-14-9-12(4,5)10(15)13-6/h14H,7-9H2,1-6H3,(H,13,15)
InChIKeyJDMXFXFPTSXGCO-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide
CID 106277282
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
3-(2-methoxypropylamino)-N,2,2-trimethylpropanamide
CID 106276968
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106278540
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 114167383
3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
CID 114167351
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide (CID 102672659) is 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide?
The InChIKey is JDMXFXFPTSXGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)7-8-14-9-12(4,5)10(15)13-6/h14H,7-9H2,1-6H3,(H,13,15).
What are the key properties of 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide?
3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 102672659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).