N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide

C12H22N2O — CID 18628282

IUPACN-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)12(15)13-10-5-7-11(8-6-10)14(3)4/h10-11H,1,5-8H2,2-4H3,(H,13,15)
InChIKeyQJUUSZDOMRLEKH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds3

About N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide

N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide (PubChem CID 18628282) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide
PubChem CID18628282
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)12(15)13-10-5-7-11(8-6-10)14(3)4/h10-11H,1,5-8H2,2-4H3,(H,13,15)
InChIKeyQJUUSZDOMRLEKH-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide (CID 18628282) is N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCC(N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide?
The InChIKey is QJUUSZDOMRLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)12(15)13-10-5-7-11(8-6-10)14(3)4/h10-11H,1,5-8H2,2-4H3,(H,13,15).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide?
N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18628282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).