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

C17H24N2 — CID 117185169

IUPAC5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CN1CCCC1)cn2C(C)C
InChIInChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-10-14(3)6-7-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyPZNFXGCKGGFKRM-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.13
Rot. Bonds3

About 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole

5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117185169) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID117185169
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CN1CCCC1)cn2C(C)C
InChIInChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-10-14(3)6-7-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyPZNFXGCKGGFKRM-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

6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
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
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
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
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
CID 115006226
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
CID 132510881
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 170792929
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (CID 117185169) is 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is Cc1ccc2c(c1)c(CN1CCCC1)cn2C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is PZNFXGCKGGFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)19-12-15(11-18-8-4-5-9-18)16-10-14(3)6-7-17(16)19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
5-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 5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117185169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).