6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole

C17H24N2 — CID 117185718

IUPAC6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1ccc2c(CN3CCCC3)cn(C(C)C)c2c1
InChIInChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-7-6-14(3)10-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyWJTSRNVEGCAHSG-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.13
Rot. Bonds3

About 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole

6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117185718) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID117185718
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1ccc2c(CN3CCCC3)cn(C(C)C)c2c1
InChIInChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-7-6-14(3)10-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyWJTSRNVEGCAHSG-UHFFFAOYSA-N
XLogP4.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
N-methyl-1-(6-methyl-1-propan-2-ylindol-3-yl)propan-2-amine
CID 117196206
3-(piperazin-1-ylmethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 117179158
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117182319
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole
CID 174663765
5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
CID 155559147
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (CID 117185718) is 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is Cc1ccc2c(CN3CCCC3)cn(C(C)C)c2c1.
What is the InChIKey of 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is WJTSRNVEGCAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-7-6-14(3)10-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 256.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117185718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).