2-ethyl-4-methylideneindol-3-amine

C11H12N2 — CID 88747308

IUPAC2-ethyl-4-methylideneindol-3-amine
SMILESC=c1cccc2c1=C(N)C(CC)=N2
InChIInChI=1S/C11H12N2/c1-3-8-11(12)10-7(2)5-4-6-9(10)13-8/h4-6H,2-3,12H2,1H3
InChIKeyUCQLAENIJHGCSJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.66
Rot. Bonds1

About 2-ethyl-4-methylideneindol-3-amine

2-ethyl-4-methylideneindol-3-amine (PubChem CID 88747308) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethyl-4-methylideneindol-3-amine.

Molecular Properties

Compound Name2-ethyl-4-methylideneindol-3-amine
PubChem CID88747308
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-ethyl-4-methylideneindol-3-amine
SMILESC=c1cccc2c1=C(N)C(CC)=N2
InChIInChI=1S/C11H12N2/c1-3-8-11(12)10-7(2)5-4-6-9(10)13-8/h4-6H,2-3,12H2,1H3
InChIKeyUCQLAENIJHGCSJ-UHFFFAOYSA-N
XLogP0.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylideneindol-3-amine?
The IUPAC name of 2-ethyl-4-methylideneindol-3-amine (CID 88747308) is 2-ethyl-4-methylideneindol-3-amine.
What is the SMILES notation for 2-ethyl-4-methylideneindol-3-amine?
The canonical SMILES for 2-ethyl-4-methylideneindol-3-amine is C=c1cccc2c1=C(N)C(CC)=N2.
What is the InChIKey of 2-ethyl-4-methylideneindol-3-amine?
The InChIKey is UCQLAENIJHGCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-8-11(12)10-7(2)5-4-6-9(10)13-8/h4-6H,2-3,12H2,1H3.
What are the key properties of 2-ethyl-4-methylideneindol-3-amine?
2-ethyl-4-methylideneindol-3-amine has a molecular weight of 172.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylideneindol-3-amine is sourced from PubChem (CID 88747308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).