2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide

C11H20N2O — CID 69004652

IUPAC2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide
SMILESCNC1CCC(C=C(C)C(N)=O)CC1
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)7-9-3-5-10(13-2)6-4-9/h7,9-10,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyPMUIIXAYJIHHRV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.20
Rot. Bonds3

About 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide

2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide (PubChem CID 69004652) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide
PubChem CID69004652
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide
SMILESCNC1CCC(C=C(C)C(N)=O)CC1
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)7-9-3-5-10(13-2)6-4-9/h7,9-10,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyPMUIIXAYJIHHRV-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide?
The IUPAC name of 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide (CID 69004652) is 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide?
The canonical SMILES for 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide is CNC1CCC(C=C(C)C(N)=O)CC1.
What is the InChIKey of 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide?
The InChIKey is PMUIIXAYJIHHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(11(12)14)7-9-3-5-10(13-2)6-4-9/h7,9-10,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide?
2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(methylamino)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 69004652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).