ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine

C17H24N2 — CID 142269261

IUPACethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine
SMILESC=CC(C/C=N/C)n1ccc2cc(C)ccc21.CC
InChIInChI=1S/C15H18N2.C2H6/c1-4-14(7-9-16-3)17-10-8-13-11-12(2)5-6-15(13)17;1-2/h4-6,8-11,14H,1,7H2,2-3H3;1-2H3/b16-9+;
InChIKeyDWNZDAPIWAHGIB-QOVZSLTQSA-N
MW256.39 g/mol
LogP4.79
Rot. Bonds4

About ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine

ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine (PubChem CID 142269261) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine.

Molecular Properties

Compound Nameethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine
PubChem CID142269261
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Nameethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine
SMILESC=CC(C/C=N/C)n1ccc2cc(C)ccc21.CC
InChIInChI=1S/C15H18N2.C2H6/c1-4-14(7-9-16-3)17-10-8-13-11-12(2)5-6-15(13)17;1-2/h4-6,8-11,14H,1,7H2,2-3H3;1-2H3/b16-9+;
InChIKeyDWNZDAPIWAHGIB-QOVZSLTQSA-N
XLogP4.79
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine 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-(5-methylindol-1-yl)prop-2-en-1-one
CID 134938352
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
5-methyl-1-oxidoindole
CID 175184350
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
tert-butyl 2-(5-methylindol-1-yl)propanoate
CID 66336828
1-(methoxymethyl)-5-methylindole
CID 110831319
(5-methylindol-1-yl)-tri(propan-2-yl)silane
CID 24754943
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
1-[1,3-bis(prop-2-enoxy)propan-2-yl]-5-bromoindole
CID 176563760

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine?
The IUPAC name of ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine (CID 142269261) is ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine.
What is the SMILES notation for ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine?
The canonical SMILES for ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine is C=CC(C/C=N/C)n1ccc2cc(C)ccc21.CC.
What is the InChIKey of ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine?
The InChIKey is DWNZDAPIWAHGIB-QOVZSLTQSA-N. The full InChI is InChI=1S/C15H18N2.C2H6/c1-4-14(7-9-16-3)17-10-8-13-11-12(2)5-6-15(13)17;1-2/h4-6,8-11,14H,1,7H2,2-3H3;1-2H3/b16-9+;.
What are the key properties of ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine?
ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine has a molecular weight of 256.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(5-methylindol-1-yl)pent-4-en-1-imine is sourced from PubChem (CID 142269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).