N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane

C16H30N2O — CID 144998295

IUPACN-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane
SMILESCC.CC(C)(C)CCC(C)(C)C(=O)NC1(C#N)CC1
InChIInChI=1S/C14H24N2O.C2H6/c1-12(2,3)6-7-13(4,5)11(17)16-14(10-15)8-9-14;1-2/h6-9H2,1-5H3,(H,16,17);1-2H3
InChIKeyOMUCGHIMJQHECP-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.04
Rot. Bonds4

About N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane

N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane (PubChem CID 144998295) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane
PubChem CID144998295
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane
SMILESCC.CC(C)(C)CCC(C)(C)C(=O)NC1(C#N)CC1
InChIInChI=1S/C14H24N2O.C2H6/c1-12(2,3)6-7-13(4,5)11(17)16-14(10-15)8-9-14;1-2/h6-9H2,1-5H3,(H,16,17);1-2H3
InChIKeyOMUCGHIMJQHECP-UHFFFAOYSA-N
XLogP4.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
CID 90305562
2,2-dichloro-N-(1-cyanocyclopropyl)butanamide
CID 57037383
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
N-(1-cyanocyclopropyl)-4-fluoro-4-methylpentanamide;2,2,2-trifluoroacetic acid
CID 175785899
2-cyano-N-(1-cyanocyclopropyl)acetamide
CID 131036144
N-(1-cyanocyclopentyl)propanamide
CID 55029198
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane?
The IUPAC name of N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane (CID 144998295) is N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane?
The canonical SMILES for N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane is CC.CC(C)(C)CCC(C)(C)C(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane?
The InChIKey is OMUCGHIMJQHECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.C2H6/c1-12(2,3)6-7-13(4,5)11(17)16-14(10-15)8-9-14;1-2/h6-9H2,1-5H3,(H,16,17);1-2H3.
What are the key properties of N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane?
N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane has a molecular weight of 266.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2,2,5,5-tetramethylhexanamide;ethane is sourced from PubChem (CID 144998295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).