(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen

C8H24N2O — CID 145052897

IUPAC(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
SMILESCC.CC(C)C[C@H](N)C(N)=O.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.C2H6.2H2/c1-4(2)3-5(7)6(8)9;1-2;;/h4-5H,3,7H2,1-2H3,(H2,8,9);1-2H3;2*1H/t5-;;;/m0.../s1
InChIKeyYTDDHKRRJBMRAI-BHRFRFAJSA-N
MW164.29 g/mol
LogP1.36
Rot. Bonds3

About (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen

(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen (PubChem CID 145052897) has the molecular formula C8H24N2O and a molecular weight of 164.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
PubChem CID145052897
Molecular FormulaC8H24N2O
Molecular Weight164.29 g/mol
Exact Mass164.19
IUPAC Name(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
SMILESCC.CC(C)C[C@H](N)C(N)=O.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.C2H6.2H2/c1-4(2)3-5(7)6(8)9;1-2;;/h4-5H,3,7H2,1-2H3,(H2,8,9);1-2H3;2*1H/t5-;;;/m0.../s1
InChIKeyYTDDHKRRJBMRAI-BHRFRFAJSA-N
XLogP1.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-amino-4-methylpentanoate
CID 157437742
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen?
The IUPAC name of (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen (CID 145052897) is (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen?
The canonical SMILES for (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen is CC.CC(C)C[C@H](N)C(N)=O.[H][H].[H][H].
What is the InChIKey of (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen?
The InChIKey is YTDDHKRRJBMRAI-BHRFRFAJSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6.2H2/c1-4(2)3-5(7)6(8)9;1-2;;/h4-5H,3,7H2,1-2H3,(H2,8,9);1-2H3;2*1H/t5-;;;/m0.../s1.
What are the key properties of (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen?
(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen has a molecular weight of 164.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen is sourced from PubChem (CID 145052897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).