2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide

C12H21NO — CID 134943112

IUPAC2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide
SMILESC=C(CC1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3
InChIKeyVNQXVFPVJWQYSE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds3

About 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide

2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide (PubChem CID 134943112) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide
PubChem CID134943112
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide
SMILESC=C(CC1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3
InChIKeyVNQXVFPVJWQYSE-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide (CID 134943112) is 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide is C=C(CC1CCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide?
The InChIKey is VNQXVFPVJWQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3.
What are the key properties of 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide?
2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 134943112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).