2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide

C14H24N2O2 — CID 113359686

IUPAC2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-3-13(2,9-15)12(18)16-10-14(11-17)7-5-4-6-8-14/h17H,3-8,10-11H2,1-2H3,(H,16,18)
InChIKeyJHUKXUBEWNDRTK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.99
Rot. Bonds5

About 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide

2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide (PubChem CID 113359686) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
PubChem CID113359686
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-3-13(2,9-15)12(18)16-10-14(11-17)7-5-4-6-8-14/h17H,3-8,10-11H2,1-2H3,(H,16,18)
InChIKeyJHUKXUBEWNDRTK-UHFFFAOYSA-N
XLogP1.99
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
CID 115360372
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide (CID 113359686) is 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide?
The InChIKey is JHUKXUBEWNDRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-13(2,9-15)12(18)16-10-14(11-17)7-5-4-6-8-14/h17H,3-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide?
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 113359686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).