2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide

C11H21N3O — CID 116677915

IUPAC2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCN(C)C)=C1CNC1
InChIInChI=1S/C11H21N3O/c1-9(10-7-12-8-10)11(15)14(4)6-5-13(2)3/h12H,5-8H2,1-4H3
InChIKeyCSDOFPPYFHCBRZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.07
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide

2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (PubChem CID 116677915) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
PubChem CID116677915
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCN(C)C)=C1CNC1
InChIInChI=1S/C11H21N3O/c1-9(10-7-12-8-10)11(15)14(4)6-5-13(2)3/h12H,5-8H2,1-4H3
InChIKeyCSDOFPPYFHCBRZ-UHFFFAOYSA-N
XLogP-0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
CID 116674717
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 116677977
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
CID 116678457
2-(azetidin-3-ylidene)-N-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (CID 116677915) is 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is CC(C(=O)N(C)CCN(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The InChIKey is CSDOFPPYFHCBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(10-7-12-8-10)11(15)14(4)6-5-13(2)3/h12H,5-8H2,1-4H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide has a molecular weight of 211.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is sourced from PubChem (CID 116677915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).