2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide

C12H26N2O — CID 76904802

IUPAC2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
SMILESCCC(NC(=O)C(N)C(C)(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-7-9(8(2)3)14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)
InChIKeyQCZZLAXBNCMYHM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide

2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide (PubChem CID 76904802) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
PubChem CID76904802
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
SMILESCCC(NC(=O)C(N)C(C)(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-7-9(8(2)3)14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)
InChIKeyQCZZLAXBNCMYHM-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide (CID 76904802) is 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide is CCC(NC(=O)C(N)C(C)(C)C)C(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide?
The InChIKey is QCZZLAXBNCMYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-7-9(8(2)3)14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15).
What are the key properties of 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide?
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide is sourced from PubChem (CID 76904802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).