5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide

C13H28N2O — CID 145338823

IUPAC5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide
SMILESCCC(C)(CCN(C)C(C)(C)C)CC(N)=O
InChIInChI=1S/C13H28N2O/c1-7-13(5,10-11(14)16)8-9-15(6)12(2,3)4/h7-10H2,1-6H3,(H2,14,16)
InChIKeySUGPMXWHALOVMQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds6

About 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide

5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide (PubChem CID 145338823) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide
PubChem CID145338823
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide
SMILESCCC(C)(CCN(C)C(C)(C)C)CC(N)=O
InChIInChI=1S/C13H28N2O/c1-7-13(5,10-11(14)16)8-9-15(6)12(2,3)4/h7-10H2,1-6H3,(H2,14,16)
InChIKeySUGPMXWHALOVMQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
[3-[tert-butyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
CID 167049968
5-(dimethylamino)-3,3-dimethylpentanamide;ethane
CID 166075675
3,3-dichlorobutanamide
CID 57160976
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132
3,3-diethyl-5-hydroxypentanamide
CID 21402990
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide
CID 106095865
3-methyl-3-(methylamino)pentanamide
CID 65236243
acetamide;3,3-bis(sulfanyl)pentanamide;dihydrochloride
CID 163214462
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 65248584
2,2-bis[3-(dimethylamino)propyl]butanediamide
CID 175305389

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide?
The IUPAC name of 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide (CID 145338823) is 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide.
What is the SMILES notation for 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide?
The canonical SMILES for 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide is CCC(C)(CCN(C)C(C)(C)C)CC(N)=O.
What is the InChIKey of 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide?
The InChIKey is SUGPMXWHALOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-13(5,10-11(14)16)8-9-15(6)12(2,3)4/h7-10H2,1-6H3,(H2,14,16).
What are the key properties of 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide?
5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(methyl)amino]-3-ethyl-3-methylpentanamide is sourced from PubChem (CID 145338823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).