3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline

C17H25NO2 — CID 139697285

IUPAC3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
SMILESC=CCOCCN(CCOCC=C)c1cccc(C)c1
InChIInChI=1S/C17H25NO2/c1-4-11-19-13-9-18(10-14-20-12-5-2)17-8-6-7-16(3)15-17/h4-8,15H,1-2,9-14H2,3H3
InChIKeyAIDPUWVZZFTODU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds11

About 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline

3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline (PubChem CID 139697285) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline.

Molecular Properties

Compound Name3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
PubChem CID139697285
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
SMILESC=CCOCCN(CCOCC=C)c1cccc(C)c1
InChIInChI=1S/C17H25NO2/c1-4-11-19-13-9-18(10-14-20-12-5-2)17-8-6-7-16(3)15-17/h4-8,15H,1-2,9-14H2,3H3
InChIKeyAIDPUWVZZFTODU-UHFFFAOYSA-N
XLogP3.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline 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

N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
2-[3-methyl-N-(2-sulfooxyethyl)anilino]ethyl hydrogen sulfate
CID 88528148
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
CID 138691667
CID 138691667
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N,N-dibutyl-3-methylaniline
CID 15332677
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
penta-1,4-diene;1,3-xylene
CID 173131413
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline?
The IUPAC name of 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline (CID 139697285) is 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline.
What is the SMILES notation for 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline?
The canonical SMILES for 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline is C=CCOCCN(CCOCC=C)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline?
The InChIKey is AIDPUWVZZFTODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-11-19-13-9-18(10-14-20-12-5-2)17-8-6-7-16(3)15-17/h4-8,15H,1-2,9-14H2,3H3.
What are the key properties of 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline?
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline has a molecular weight of 275.39 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline is sourced from PubChem (CID 139697285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).