1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine

C15H21N3 — CID 55030032

IUPAC1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cccc2c(CN3CCC(N)C3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-2-11-4-3-5-14-12(8-17-15(11)14)9-18-7-6-13(16)10-18/h3-5,8,13,17H,2,6-7,9-10,16H2,1H3
InChIKeyVCJSDSGXOQJZKO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds3

About 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine

1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 55030032) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID55030032
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cccc2c(CN3CCC(N)C3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-2-11-4-3-5-14-12(8-17-15(11)14)9-18-7-6-13(16)10-18/h3-5,8,13,17H,2,6-7,9-10,16H2,1H3
InChIKeyVCJSDSGXOQJZKO-UHFFFAOYSA-N
XLogP2.26
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine (CID 55030032) is 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine is CCc1cccc2c(CN3CCC(N)C3)c[nH]c12.
What is the InChIKey of 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VCJSDSGXOQJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-11-4-3-5-14-12(8-17-15(11)14)9-18-7-6-13(16)10-18/h3-5,8,13,17H,2,6-7,9-10,16H2,1H3.
What are the key properties of 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine?
1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 243.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55030032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).