[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine

C17H25N3 — CID 117175354

IUPAC[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
SMILESCC(C)n1cc(CN2CCCC2)c2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-13(2)20-12-15(11-19-7-3-4-8-19)16-9-14(10-18)5-6-17(16)20/h5-6,9,12-13H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyORHSNXMHODFFKR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.28
Rot. Bonds4

About [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine

[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine (PubChem CID 117175354) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
PubChem CID117175354
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
SMILESCC(C)n1cc(CN2CCCC2)c2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-13(2)20-12-15(11-19-7-3-4-8-19)16-9-14(10-18)5-6-17(16)20/h5-6,9,12-13H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyORHSNXMHODFFKR-UHFFFAOYSA-N
XLogP3.28
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine?
The IUPAC name of [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine (CID 117175354) is [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine.
What is the SMILES notation for [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine?
The canonical SMILES for [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine is CC(C)n1cc(CN2CCCC2)c2cc(CN)ccc21.
What is the InChIKey of [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine?
The InChIKey is ORHSNXMHODFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-12-15(11-19-7-3-4-8-19)16-9-14(10-18)5-6-17(16)20/h5-6,9,12-13H,3-4,7-8,10-11,18H2,1-2H3.
What are the key properties of [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine?
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine is sourced from PubChem (CID 117175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).