N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine

C16H20N2 — CID 139247713

IUPACN-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
SMILESCNCCC1=c2ccccc2=N/C1=C/C=C(C)C
InChIInChI=1S/C16H20N2/c1-12(2)8-9-16-14(10-11-17-3)13-6-4-5-7-15(13)18-16/h4-9,17H,10-11H2,1-3H3/b16-9+
InChIKeyQCGUXTSCBUDIOE-CXUHLZMHSA-N
MW240.35 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine

N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine (PubChem CID 139247713) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
PubChem CID139247713
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
SMILESCNCCC1=c2ccccc2=N/C1=C/C=C(C)C
InChIInChI=1S/C16H20N2/c1-12(2)8-9-16-14(10-11-17-3)13-6-4-5-7-15(13)18-16/h4-9,17H,10-11H2,1-3H3/b16-9+
InChIKeyQCGUXTSCBUDIOE-CXUHLZMHSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine (CID 139247713) is N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine is CNCCC1=c2ccccc2=N/C1=C/C=C(C)C.
What is the InChIKey of N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine?
The InChIKey is QCGUXTSCBUDIOE-CXUHLZMHSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)8-9-16-14(10-11-17-3)13-6-4-5-7-15(13)18-16/h4-9,17H,10-11H2,1-3H3/b16-9+.
What are the key properties of N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine?
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine is sourced from PubChem (CID 139247713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).