2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide

C13H27NO — CID 143920647

IUPAC2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
SMILESCCCC(C)(C)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C13H27NO/c1-7-8-13(5,6)10(11(14)15)9-12(2,3)4/h10H,7-9H2,1-6H3,(H2,14,15)
InChIKeyFQOYGBWHJYZQFO-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide

2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide (PubChem CID 143920647) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
PubChem CID143920647
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
SMILESCCCC(C)(C)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C13H27NO/c1-7-8-13(5,6)10(11(14)15)9-12(2,3)4/h10H,7-9H2,1-6H3,(H2,14,15)
InChIKeyFQOYGBWHJYZQFO-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-(2-methylpentan-2-yl)butanedioic acid
CID 121418792
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
2-ethyl-4-hydroxy-3,3-dimethylbutanamide
CID 89123661
2-(1-iodoethyl)-4,4-dimethylpentanamide
CID 159720292
2-amino-3-(2-methylpentan-2-ylamino)propanamide
CID 103264433
2,2,4,5,6,6-hexamethylnonane
CID 123538800
2-(2,2-dimethylpropyl)butanediamide
CID 88719248
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide (CID 143920647) is 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide is CCCC(C)(C)C(CC(C)(C)C)C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide?
The InChIKey is FQOYGBWHJYZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-13(5,6)10(11(14)15)9-12(2,3)4/h10H,7-9H2,1-6H3,(H2,14,15).
What are the key properties of 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide?
2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide is sourced from PubChem (CID 143920647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).