N,2,4,4-tetramethylhexanamide

C10H21NO — CID 177059131

IUPACN,2,4,4-tetramethylhexanamide
SMILESCCC(C)(C)CC(C)C(=O)NC
InChIInChI=1S/C10H21NO/c1-6-10(3,4)7-8(2)9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyXMCVQMHUHDXUDX-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.19
Rot. Bonds4

About N,2,4,4-tetramethylhexanamide

N,2,4,4-tetramethylhexanamide (PubChem CID 177059131) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,2,4,4-tetramethylhexanamide.

Molecular Properties

Compound NameN,2,4,4-tetramethylhexanamide
PubChem CID177059131
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,2,4,4-tetramethylhexanamide
SMILESCCC(C)(C)CC(C)C(=O)NC
InChIInChI=1S/C10H21NO/c1-6-10(3,4)7-8(2)9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyXMCVQMHUHDXUDX-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
N,2,5-trimethylhexanamide
CID 78065622
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide
CID 167057684
2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
CID 174243287
2-dimethylphosphanyl-N,4,4-trimethylpentanamide
CID 139494250
(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
CID 147676110
N,2,2-trimethyl-3-[2-methyl-3-(methylamino)-3-oxopropoxy]propanamide
CID 88915240
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 106175369
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122

Frequently Asked Questions

What is the IUPAC name of N,2,4,4-tetramethylhexanamide?
The IUPAC name of N,2,4,4-tetramethylhexanamide (CID 177059131) is N,2,4,4-tetramethylhexanamide.
What is the SMILES notation for N,2,4,4-tetramethylhexanamide?
The canonical SMILES for N,2,4,4-tetramethylhexanamide is CCC(C)(C)CC(C)C(=O)NC.
What is the InChIKey of N,2,4,4-tetramethylhexanamide?
The InChIKey is XMCVQMHUHDXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(3,4)7-8(2)9(12)11-5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N,2,4,4-tetramethylhexanamide?
N,2,4,4-tetramethylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,4-tetramethylhexanamide is sourced from PubChem (CID 177059131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).