1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine

C14H19N3 — CID 117178342

IUPAC1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
SMILESCn1cc(CN2CCCC2)c2ccc(N)cc21
InChIInChI=1S/C14H19N3/c1-16-9-11(10-17-6-2-3-7-17)13-5-4-12(15)8-14(13)16/h4-5,8-9H,2-3,6-7,10,15H2,1H3
InChIKeyDLEXQQBWINPYHP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.36
Rot. Bonds2

About 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine

1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine (PubChem CID 117178342) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
PubChem CID117178342
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
SMILESCn1cc(CN2CCCC2)c2ccc(N)cc21
InChIInChI=1S/C14H19N3/c1-16-9-11(10-17-6-2-3-7-17)13-5-4-12(15)8-14(13)16/h4-5,8-9H,2-3,6-7,10,15H2,1H3
InChIKeyDLEXQQBWINPYHP-UHFFFAOYSA-N
XLogP2.36
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine?
The IUPAC name of 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine (CID 117178342) is 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine?
The canonical SMILES for 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine is Cn1cc(CN2CCCC2)c2ccc(N)cc21.
What is the InChIKey of 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine?
The InChIKey is DLEXQQBWINPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-9-11(10-17-6-2-3-7-17)13-5-4-12(15)8-14(13)16/h4-5,8-9H,2-3,6-7,10,15H2,1H3.
What are the key properties of 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine?
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine has a molecular weight of 229.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine is sourced from PubChem (CID 117178342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).