2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide

C14H24N2O — CID 123144679

IUPAC2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CC2CCC1C2
InChIInChI=1S/C14H24N2O/c1-5-12(14(17)15(2)3)16(4)13-9-10-6-7-11(13)8-10/h5,10-11,13H,6-9H2,1-4H3
InChIKeyKDPGYWVXQMAEIX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.10
Rot. Bonds3

About 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide

2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide (PubChem CID 123144679) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide
PubChem CID123144679
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CC2CCC1C2
InChIInChI=1S/C14H24N2O/c1-5-12(14(17)15(2)3)16(4)13-9-10-6-7-11(13)8-10/h5,10-11,13H,6-9H2,1-4H3
InChIKeyKDPGYWVXQMAEIX-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bicyclo[2.2.1]heptanylamino)prop-2-enamide
CID 68501918
N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide
CID 123366159
3-Amino-1-{bicyclo[2.2.1]heptan-2-yl}-1,2-dihydropyridin-2-one
CID 165849714

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide (CID 123144679) is 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide is CC=C(C(=O)N(C)C)N(C)C1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The InChIKey is KDPGYWVXQMAEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12(14(17)15(2)3)16(4)13-9-10-6-7-11(13)8-10/h5,10-11,13H,6-9H2,1-4H3.
What are the key properties of 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide?
2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide has a molecular weight of 236.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 123144679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).