sodium;hydride;2-methyloctanamide

C9H20NNaO — CID 174470127

IUPACsodium;hydride;2-methyloctanamide
SMILESCCCCCCC(C)C(N)=O.[H-].[Na+]
InChIInChI=1S/C9H19NO.Na.H/c1-3-4-5-6-7-8(2)9(10)11;;/h8H,3-7H2,1-2H3,(H2,10,11);;/q;+1;-1
InChIKeyTYBXYXNTFCYALJ-UHFFFAOYSA-N
MW181.25 g/mol
LogP-0.81
Rot. Bonds6

About sodium;hydride;2-methyloctanamide

sodium;hydride;2-methyloctanamide (PubChem CID 174470127) has the molecular formula C9H20NNaO and a molecular weight of 181.25 g/mol. Its IUPAC name is sodium;hydride;2-methyloctanamide.

Molecular Properties

Compound Namesodium;hydride;2-methyloctanamide
PubChem CID174470127
Molecular FormulaC9H20NNaO
Molecular Weight181.25 g/mol
Exact Mass181.14
IUPAC Namesodium;hydride;2-methyloctanamide
SMILESCCCCCCC(C)C(N)=O.[H-].[Na+]
InChIInChI=1S/C9H19NO.Na.H/c1-3-4-5-6-7-8(2)9(10)11;;/h8H,3-7H2,1-2H3,(H2,10,11);;/q;+1;-1
InChIKeyTYBXYXNTFCYALJ-UHFFFAOYSA-N
XLogP-0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylheptanamide;2-methylhexanamide
CID 160718848
2-methylhexanamide
CID 2828737
(E)-2-methyloctadec-9-enamide
CID 19371032
2-methyloctanamide;9-octylheptadecan-9-amine
CID 175322603
2-methylicosa-11,14-dienamide
CID 175746328
carbamic acid;undecan-2-amine
CID 175209089
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
3-methyloctadecan-2-one
CID 89177698
3-methyltridecan-2-one
CID 58341645
2-hexyloctanamide
CID 87302701
3-methylundecan-2-one
CID 12634600
heptane;2-methylheptadecanoic acid
CID 175511035

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methyloctanamide?
The IUPAC name of sodium;hydride;2-methyloctanamide (CID 174470127) is sodium;hydride;2-methyloctanamide.
What is the SMILES notation for sodium;hydride;2-methyloctanamide?
The canonical SMILES for sodium;hydride;2-methyloctanamide is CCCCCCC(C)C(N)=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methyloctanamide?
The InChIKey is TYBXYXNTFCYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.Na.H/c1-3-4-5-6-7-8(2)9(10)11;;/h8H,3-7H2,1-2H3,(H2,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;2-methyloctanamide?
sodium;hydride;2-methyloctanamide has a molecular weight of 181.25 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methyloctanamide is sourced from PubChem (CID 174470127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).