N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine

C15H23N3O — CID 142517363

IUPACN,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
SMILESC/C=C(\C=N/C(C)OCCN(C)C)c1ccccn1
InChIInChI=1S/C15H23N3O/c1-5-14(15-8-6-7-9-16-15)12-17-13(2)19-11-10-18(3)4/h5-9,12-13H,10-11H2,1-4H3/b14-5+,17-12-
InChIKeyUSYMREDCUYDQDG-VSUYQWAVSA-N
MW261.37 g/mol
LogP2.48
Rot. Bonds7

About N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine

N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine (PubChem CID 142517363) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
PubChem CID142517363
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
SMILESC/C=C(\C=N/C(C)OCCN(C)C)c1ccccn1
InChIInChI=1S/C15H23N3O/c1-5-14(15-8-6-7-9-16-15)12-17-13(2)19-11-10-18(3)4/h5-9,12-13H,10-11H2,1-4H3/b14-5+,17-12-
InChIKeyUSYMREDCUYDQDG-VSUYQWAVSA-N
XLogP2.48
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine 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

(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
CID 142517548
(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
CID 142517593
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal
CID 174583129
ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen
CID 142517408
(Z,Z)-N-[1-[2-(1-azacyclohepta-2,5,6-trien-1-yl)ethoxy]ethenyl]-2-pyridin-2-ylbut-2-en-1-imine
CID 142517423
(Z)-5-ethenylimino-N,N-dimethyl-5-pyridin-2-ylpent-3-en-1-amine
CID 142200079
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
2-methyl-1-pyridin-2-ylhex-4-en-1-one
CID 131866661
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine (CID 142517363) is N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine is C/C=C(\C=N/C(C)OCCN(C)C)c1ccccn1.
What is the InChIKey of N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine?
The InChIKey is USYMREDCUYDQDG-VSUYQWAVSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-14(15-8-6-7-9-16-15)12-17-13(2)19-11-10-18(3)4/h5-9,12-13H,10-11H2,1-4H3/b14-5+,17-12-.
What are the key properties of N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine?
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine is sourced from PubChem (CID 142517363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).