4,4-dimethyl-N-(3-methylbutyl)hexanamide

C13H27NO — CID 162526519

IUPAC4,4-dimethyl-N-(3-methylbutyl)hexanamide
SMILESCCC(C)(C)CCC(=O)NCCC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(4,5)9-7-12(15)14-10-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyAQYIOTNKDABDQR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.37
Rot. Bonds7

About 4,4-dimethyl-N-(3-methylbutyl)hexanamide

4,4-dimethyl-N-(3-methylbutyl)hexanamide (PubChem CID 162526519) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylbutyl)hexanamide
PubChem CID162526519
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-N-(3-methylbutyl)hexanamide
SMILESCCC(C)(C)CCC(=O)NCCC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(4,5)9-7-12(15)14-10-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyAQYIOTNKDABDQR-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-dodecyl-4,4-dimethylhexanamide
CID 88894406
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylbutyl)hexanamide?
The IUPAC name of 4,4-dimethyl-N-(3-methylbutyl)hexanamide (CID 162526519) is 4,4-dimethyl-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylbutyl)hexanamide?
The canonical SMILES for 4,4-dimethyl-N-(3-methylbutyl)hexanamide is CCC(C)(C)CCC(=O)NCCC(C)C.
What is the InChIKey of 4,4-dimethyl-N-(3-methylbutyl)hexanamide?
The InChIKey is AQYIOTNKDABDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(4,5)9-7-12(15)14-10-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-(3-methylbutyl)hexanamide?
4,4-dimethyl-N-(3-methylbutyl)hexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 162526519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).