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

C12H22N2O — CID 79110593

IUPAC3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
SMILESCNC1CCC(NC(=O)C=C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h8,10-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyBNACIUQWRXPJGO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds3

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

3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide (PubChem CID 79110593) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
PubChem CID79110593
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
SMILESCNC1CCC(NC(=O)C=C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h8,10-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyBNACIUQWRXPJGO-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
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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Related Compounds

N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
3-methyl-N-(3-methylcyclopentyl)but-2-enamide
CID 130171283
N-(3-fluorocyclopentyl)-3-methylbut-2-enamide
CID 126992672
3-methyl-N-(3-methylcyclobutyl)but-2-enamide
CID 126972537
N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
CID 131196449
N-(azetidin-3-yl)-3-methylbut-2-enamide
CID 66185588
N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
CID 130935265
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
N-(3,3-difluorocyclobutyl)-3-methylbut-2-enamide
CID 126994062
N-(cyclohexylcarbamothioyl)-3-methylbut-2-enamide
CID 45051482
N-(2-aminocyclopropyl)-3-methylbut-2-enamide
CID 43593908
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide (CID 79110593) is 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide is CNC1CCC(NC(=O)C=C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide?
The InChIKey is BNACIUQWRXPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)8-12(15)14-11-6-4-10(13-3)5-7-11/h8,10-11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide?
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide is sourced from PubChem (CID 79110593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).