1-(1-methylindol-7-yl)ethane-1,2-diamine

C11H15N3 — CID 82404349

IUPAC1-(1-methylindol-7-yl)ethane-1,2-diamine
SMILESCn1ccc2cccc(C(N)CN)c21
InChIInChI=1S/C11H15N3/c1-14-6-5-8-3-2-4-9(11(8)14)10(13)7-12/h2-6,10H,7,12-13H2,1H3
InChIKeyUXXSIBQZPBBYQR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.14
Rot. Bonds2

About 1-(1-methylindol-7-yl)ethane-1,2-diamine

1-(1-methylindol-7-yl)ethane-1,2-diamine (PubChem CID 82404349) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-methylindol-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylindol-7-yl)ethane-1,2-diamine
PubChem CID82404349
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(1-methylindol-7-yl)ethane-1,2-diamine
SMILESCn1ccc2cccc(C(N)CN)c21
InChIInChI=1S/C11H15N3/c1-14-6-5-8-3-2-4-9(11(8)14)10(13)7-12/h2-6,10H,7,12-13H2,1H3
InChIKeyUXXSIBQZPBBYQR-UHFFFAOYSA-N
XLogP1.14
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-7-yl)ethane-1,2-diamine?
The IUPAC name of 1-(1-methylindol-7-yl)ethane-1,2-diamine (CID 82404349) is 1-(1-methylindol-7-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylindol-7-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylindol-7-yl)ethane-1,2-diamine is Cn1ccc2cccc(C(N)CN)c21.
What is the InChIKey of 1-(1-methylindol-7-yl)ethane-1,2-diamine?
The InChIKey is UXXSIBQZPBBYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-6-5-8-3-2-4-9(11(8)14)10(13)7-12/h2-6,10H,7,12-13H2,1H3.
What are the key properties of 1-(1-methylindol-7-yl)ethane-1,2-diamine?
1-(1-methylindol-7-yl)ethane-1,2-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 82404349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).