3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide

C13H23N3O — CID 106915497

IUPAC3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C1CC(C)CCC1C#N
InChIInChI=1S/C13H23N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyZDVDWKJFIFNWHA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.38
Rot. Bonds4

About 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide

3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide (PubChem CID 106915497) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
PubChem CID106915497
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C1CC(C)CCC1C#N
InChIInChI=1S/C13H23N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyZDVDWKJFIFNWHA-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide (CID 106915497) is 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C1CC(C)CCC1C#N.
What is the InChIKey of 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide?
The InChIKey is ZDVDWKJFIFNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-4-5-11(9-14)12(8-10)16(3)7-6-13(17)15-2/h10-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide?
3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).