2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide

C10H19N3O — CID 116678011

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C10H19N3O/c1-8(9-6-12-7-9)10(14)13(3)5-4-11-2/h11-12H,4-7H2,1-3H3
InChIKeyYQSWZQUPVPMQMB-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.42
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide

2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide (PubChem CID 116678011) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
PubChem CID116678011
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C10H19N3O/c1-8(9-6-12-7-9)10(14)13(3)5-4-11-2/h11-12H,4-7H2,1-3H3
InChIKeyYQSWZQUPVPMQMB-UHFFFAOYSA-N
XLogP-0.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
CID 116674717
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
CID 116678457
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
N,N'-dimethyl-N'-phosphanylethane-1,2-diamine
CID 129067640

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide (CID 116678011) is 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide is CNCCN(C)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is YQSWZQUPVPMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(9-6-12-7-9)10(14)13(3)5-4-11-2/h11-12H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 197.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 116678011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).