N,2,2-trimethylhexanamide

C9H19NO — CID 87705334

IUPACN,2,2-trimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NC
InChIInChI=1S/C9H19NO/c1-5-6-7-9(2,3)8(11)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyRJNLHZRGZQKPIB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds4

About N,2,2-trimethylhexanamide

N,2,2-trimethylhexanamide (PubChem CID 87705334) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,2,2-trimethylhexanamide.

Molecular Properties

Compound NameN,2,2-trimethylhexanamide
PubChem CID87705334
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,2,2-trimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NC
InChIInChI=1S/C9H19NO/c1-5-6-7-9(2,3)8(11)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyRJNLHZRGZQKPIB-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyloctadecanamide
CID 158817445
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
CID 159659971
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N-ethyl-2,2-dimethylheptanamide
CID 168939290
N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982
2,2-dimethyl-N-oxidodecanamide
CID 141061443
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
CID 143079876
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2,2-diethyl-N-methylhexadecanamide
CID 158971138

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethylhexanamide?
The IUPAC name of N,2,2-trimethylhexanamide (CID 87705334) is N,2,2-trimethylhexanamide.
What is the SMILES notation for N,2,2-trimethylhexanamide?
The canonical SMILES for N,2,2-trimethylhexanamide is CCCCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethylhexanamide?
The InChIKey is RJNLHZRGZQKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-9(2,3)8(11)10-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N,2,2-trimethylhexanamide?
N,2,2-trimethylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylhexanamide is sourced from PubChem (CID 87705334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).