3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide

C12H26N2O — CID 115155111

IUPAC3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
SMILESCCCC(C)(C)CNC(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O/c1-6-7-11(2,3)9-14-10(15)8-12(4,5)13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNEOGOPDIEOZEEJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide

3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide (PubChem CID 115155111) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
PubChem CID115155111
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
SMILESCCCC(C)(C)CNC(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O/c1-6-7-11(2,3)9-14-10(15)8-12(4,5)13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNEOGOPDIEOZEEJ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 64677799
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
2,2-dimethylpentylhydrazine
CID 87703998
3-(2,2-dimethylpentylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189563
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide (CID 115155111) is 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide is CCCC(C)(C)CNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide?
The InChIKey is NEOGOPDIEOZEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-7-11(2,3)9-14-10(15)8-12(4,5)13/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide?
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide is sourced from PubChem (CID 115155111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).