N,N,2-trimethyl-2-propan-2-ylhexanamide

C12H25NO — CID 3016600

IUPACN,N,2-trimethyl-2-propan-2-ylhexanamide
SMILESCCCCC(C)(C(=O)N(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-8-9-12(4,10(2)3)11(14)13(5)6/h10H,7-9H2,1-6H3
InChIKeyRNTPPLUFUHIOOM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds5

About N,N,2-trimethyl-2-propan-2-ylhexanamide

N,N,2-trimethyl-2-propan-2-ylhexanamide (PubChem CID 3016600) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N,2-trimethyl-2-propan-2-ylhexanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-2-propan-2-ylhexanamide
PubChem CID3016600
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,N,2-trimethyl-2-propan-2-ylhexanamide
SMILESCCCCC(C)(C(=O)N(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-8-9-12(4,10(2)3)11(14)13(5)6/h10H,7-9H2,1-6H3
InChIKeyRNTPPLUFUHIOOM-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,2,2,3-pentamethylhexanamide
CID 20824927
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642
2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
(5S)-5-methyl-5-propan-2-ylnonan-2-one
CID 157356592
2-butyl-2-tert-butyl-3-methylbutanedioic acid
CID 22666972
5-methyl-5-propan-2-yloctan-4-one
CID 123521732
5-butylnonan-5-yl methyl carbonate
CID 141441033
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
CID 115920256

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-propan-2-ylhexanamide?
The IUPAC name of N,N,2-trimethyl-2-propan-2-ylhexanamide (CID 3016600) is N,N,2-trimethyl-2-propan-2-ylhexanamide.
What is the SMILES notation for N,N,2-trimethyl-2-propan-2-ylhexanamide?
The canonical SMILES for N,N,2-trimethyl-2-propan-2-ylhexanamide is CCCCC(C)(C(=O)N(C)C)C(C)C.
What is the InChIKey of N,N,2-trimethyl-2-propan-2-ylhexanamide?
The InChIKey is RNTPPLUFUHIOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-8-9-12(4,10(2)3)11(14)13(5)6/h10H,7-9H2,1-6H3.
What are the key properties of N,N,2-trimethyl-2-propan-2-ylhexanamide?
N,N,2-trimethyl-2-propan-2-ylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-propan-2-ylhexanamide is sourced from PubChem (CID 3016600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).