2-amino-3-methylpentanamide;2,3-dimethylbutane

C12H28N2O — CID 22928550

IUPAC2-amino-3-methylpentanamide;2,3-dimethylbutane
SMILESCC(C)C(C)C.CCC(C)C(N)C(N)=O
InChIInChI=1S/C6H14N2O.C6H14/c1-3-4(2)5(7)6(8)9;1-5(2)6(3)4/h4-5H,3,7H2,1-2H3,(H2,8,9);5-6H,1-4H3
InChIKeyOMRFGVVQTZDGHG-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-3-methylpentanamide;2,3-dimethylbutane

2-amino-3-methylpentanamide;2,3-dimethylbutane (PubChem CID 22928550) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-amino-3-methylpentanamide;2,3-dimethylbutane.

Molecular Properties

Compound Name2-amino-3-methylpentanamide;2,3-dimethylbutane
PubChem CID22928550
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-amino-3-methylpentanamide;2,3-dimethylbutane
SMILESCC(C)C(C)C.CCC(C)C(N)C(N)=O
InChIInChI=1S/C6H14N2O.C6H14/c1-3-4(2)5(7)6(8)9;1-5(2)6(3)4/h4-5H,3,7H2,1-2H3,(H2,8,9);5-6H,1-4H3
InChIKeyOMRFGVVQTZDGHG-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methylpentanamide
CID 10290817
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3,4-dimethylhexanamide
CID 131230677
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2R)-2-amino-3-silylpentanamide
CID 174157180
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylpentanamide;2,3-dimethylbutane?
The IUPAC name of 2-amino-3-methylpentanamide;2,3-dimethylbutane (CID 22928550) is 2-amino-3-methylpentanamide;2,3-dimethylbutane.
What is the SMILES notation for 2-amino-3-methylpentanamide;2,3-dimethylbutane?
The canonical SMILES for 2-amino-3-methylpentanamide;2,3-dimethylbutane is CC(C)C(C)C.CCC(C)C(N)C(N)=O.
What is the InChIKey of 2-amino-3-methylpentanamide;2,3-dimethylbutane?
The InChIKey is OMRFGVVQTZDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C6H14/c1-3-4(2)5(7)6(8)9;1-5(2)6(3)4/h4-5H,3,7H2,1-2H3,(H2,8,9);5-6H,1-4H3.
What are the key properties of 2-amino-3-methylpentanamide;2,3-dimethylbutane?
2-amino-3-methylpentanamide;2,3-dimethylbutane has a molecular weight of 216.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylpentanamide;2,3-dimethylbutane is sourced from PubChem (CID 22928550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).