3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol

C16H25N3O — CID 70775651

IUPAC3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCCN2CCc3ccccc32)CCNC1
InChIInChI=1S/C16H25N3O/c20-16(7-9-18-13-16)12-17-8-3-10-19-11-6-14-4-1-2-5-15(14)19/h1-2,4-5,17-18,20H,3,6-13H2
InChIKeyYDJSUPKTMIBUNR-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.75
Rot. Bonds6

About 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol

3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol (PubChem CID 70775651) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol
PubChem CID70775651
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCCN2CCc3ccccc32)CCNC1
InChIInChI=1S/C16H25N3O/c20-16(7-9-18-13-16)12-17-8-3-10-19-11-6-14-4-1-2-5-15(14)19/h1-2,4-5,17-18,20H,3,6-13H2
InChIKeyYDJSUPKTMIBUNR-UHFFFAOYSA-N
XLogP0.75
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine
CID 6483816
1-(1,2,3,4,4a,9a-Hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol
CID 57402933
3-(2,3-Dihydroindol-1-yl)propan-1-amine;hydrochloride
CID 145973871
1'-Methylspiro[indoline-3,3'-pyrrolidine]
CID 3053084
1-[2-(Aminomethyl)phenyl]pyrrolidin-3-ol
CID 53408245
3-{[4-(2,5-Dimethylphenyl)piperazin-1-YL]methyl}pyrrolidin-3-OL
CID 70711954
3-({[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]amino}methyl)pyrrolidin-3-ol
CID 70719541
6-({[2-(2,3-dihydro-1H-indol-1-yl)ethyl]amino}methyl)-1,4-oxazepan-6-ol
CID 70741610
3-(indolin-1-yl)-N-isopropylpropan-1-amine
CID 43208046
US10981917, Example 194
CID 135304231
Indoline water
CID 156630724
(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol
CID 95870170

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol (CID 70775651) is 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol is OC1(CNCCCN2CCc3ccccc32)CCNC1.
What is the InChIKey of 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol?
The InChIKey is YDJSUPKTMIBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(7-9-18-13-16)12-17-8-3-10-19-11-6-14-4-1-2-5-15(14)19/h1-2,4-5,17-18,20H,3,6-13H2.
What are the key properties of 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol?
3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol has a molecular weight of 275.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70775651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).