4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine

C20H30N2O — CID 170871034

IUPAC4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
SMILESCCCn1c(C)c(CCCN2CCOCC2)c2cccc(C)c21
InChIInChI=1S/C20H30N2O/c1-4-10-22-17(3)18(19-8-5-7-16(2)20(19)22)9-6-11-21-12-14-23-15-13-21/h5,7-8H,4,6,9-15H2,1-3H3
InChIKeyYWLKSNARFQIUIK-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.93
Rot. Bonds6

About 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine

4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine (PubChem CID 170871034) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
PubChem CID170871034
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
SMILESCCCn1c(C)c(CCCN2CCOCC2)c2cccc(C)c21
InChIInChI=1S/C20H30N2O/c1-4-10-22-17(3)18(19-8-5-7-16(2)20(19)22)9-6-11-21-12-14-23-15-13-21/h5,7-8H,4,6,9-15H2,1-3H3
InChIKeyYWLKSNARFQIUIK-UHFFFAOYSA-N
XLogP3.93
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801
4-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-thione
CID 115551687
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-[3-(4-methylindol-1-yl)propyl]morpholine
CID 58748400
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine (CID 170871034) is 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine is CCCn1c(C)c(CCCN2CCOCC2)c2cccc(C)c21.
What is the InChIKey of 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine?
The InChIKey is YWLKSNARFQIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-10-22-17(3)18(19-8-5-7-16(2)20(19)22)9-6-11-21-12-14-23-15-13-21/h5,7-8H,4,6,9-15H2,1-3H3.
What are the key properties of 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine?
4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine has a molecular weight of 314.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine is sourced from PubChem (CID 170871034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).