2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide

C14H24N2O — CID 63243648

IUPAC2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)C(C#N)C(C)C)CC1
InChIInChI=1S/C14H24N2O/c1-10(2)13(8-15)14(17)16-9-12-6-4-11(3)5-7-12/h10-13H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyWOBNHBFQZAOFID-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds4

About 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide

2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide (PubChem CID 63243648) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
PubChem CID63243648
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)C(C#N)C(C)C)CC1
InChIInChI=1S/C14H24N2O/c1-10(2)13(8-15)14(17)16-9-12-6-4-11(3)5-7-12/h10-13H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyWOBNHBFQZAOFID-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
CID 63243535
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea
CID 99807482
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The IUPAC name of 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide (CID 63243648) is 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide is CC1CCC(CNC(=O)C(C#N)C(C)C)CC1.
What is the InChIKey of 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The InChIKey is WOBNHBFQZAOFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)13(8-15)14(17)16-9-12-6-4-11(3)5-7-12/h10-13H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide has a molecular weight of 236.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 63243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).