N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine

C13H18N2O — CID 139353440

IUPACN-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine
SMILESC=C(NC)O/C(CC)=C(/C)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-5-13(16-11(3)14-4)10(2)12-8-6-7-9-15-12/h6-9,14H,3,5H2,1-2,4H3/b13-10-
InChIKeyLUXMMWBXGPBDBE-RAXLEYEMSA-N
MW218.30 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine

N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine (PubChem CID 139353440) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine.

Molecular Properties

Compound NameN-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine
PubChem CID139353440
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine
SMILESC=C(NC)O/C(CC)=C(/C)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-5-13(16-11(3)14-4)10(2)12-8-6-7-9-15-12/h6-9,14H,3,5H2,1-2,4H3/b13-10-
InChIKeyLUXMMWBXGPBDBE-RAXLEYEMSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-2-ylethenylhydrazine
CID 170235415
2-(3-methylbuta-1,3-dien-2-yl)pyridine
CID 91495924
N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
CID 76696793
ethyl pyridine-2-carboxylate
CID 17307
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
CID 138698703
trimethyl(1-pyridin-2-ylethenoxy)silane
CID 13033707
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-[(Z)-3-buta-1,3-dien-2-ylsulfanylbut-2-en-2-yl]pyridine
CID 155095870
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine?
The IUPAC name of N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine (CID 139353440) is N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine.
What is the SMILES notation for N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine?
The canonical SMILES for N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine is C=C(NC)O/C(CC)=C(/C)c1ccccn1.
What is the InChIKey of N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine?
The InChIKey is LUXMMWBXGPBDBE-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-13(16-11(3)14-4)10(2)12-8-6-7-9-15-12/h6-9,14H,3,5H2,1-2,4H3/b13-10-.
What are the key properties of N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine?
N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine has a molecular weight of 218.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine is sourced from PubChem (CID 139353440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).