1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine

C15H21N3 — CID 57421481

IUPAC1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
SMILESCn1cc(CCN2CCCC2)c2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-17-11-12(6-9-18-7-2-3-8-18)14-5-4-13(16)10-15(14)17/h4-5,10-11H,2-3,6-9,16H2,1H3
InChIKeyVFNXPXHECDHWKT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds3

About 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine

1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine (PubChem CID 57421481) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine.

Molecular Properties

Compound Name1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
PubChem CID57421481
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
SMILESCn1cc(CCN2CCCC2)c2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-17-11-12(6-9-18-7-2-3-8-18)14-5-4-13(16)10-15(14)17/h4-5,10-11H,2-3,6-9,16H2,1H3
InChIKeyVFNXPXHECDHWKT-UHFFFAOYSA-N
XLogP2.40
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
3-(fluoromethyl)-1-methylindol-6-amine
CID 84656439
(6-amino-1-methylindol-3-yl)methanethiol
CID 117178647
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 21398319
3-(ethylsulfanylmethyl)-1-methylindol-6-amine
CID 117178607
3-chloro-4-(2-pyrrolidin-1-ylethyl)aniline
CID 68818430
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine?
The IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine (CID 57421481) is 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine.
What is the SMILES notation for 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine?
The canonical SMILES for 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine is Cn1cc(CCN2CCCC2)c2ccc(N)cc21.
What is the InChIKey of 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine?
The InChIKey is VFNXPXHECDHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-11-12(6-9-18-7-2-3-8-18)14-5-4-13(16)10-15(14)17/h4-5,10-11H,2-3,6-9,16H2,1H3.
What are the key properties of 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine?
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine has a molecular weight of 243.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine is sourced from PubChem (CID 57421481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).