4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine

C18H26N2O — CID 170871014

IUPAC4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1cc(C)c2[nH]c(C)c(CCCN3CCOCC3)c2c1
InChIInChI=1S/C18H26N2O/c1-13-11-14(2)18-17(12-13)16(15(3)19-18)5-4-6-20-7-9-21-10-8-20/h11-12,19H,4-10H2,1-3H3
InChIKeyWXAJQECHFCTWJT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds4

About 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine

4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine (PubChem CID 170871014) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
PubChem CID170871014
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
SMILESCc1cc(C)c2[nH]c(C)c(CCCN3CCOCC3)c2c1
InChIInChI=1S/C18H26N2O/c1-13-11-14(2)18-17(12-13)16(15(3)19-18)5-4-6-20-7-9-21-10-8-20/h11-12,19H,4-10H2,1-3H3
InChIKeyWXAJQECHFCTWJT-UHFFFAOYSA-N
XLogP3.36
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
4-[3-(4-methylthiophen-2-yl)propyl]morpholine
CID 170871201
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169166
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine (CID 170871014) is 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine is Cc1cc(C)c2[nH]c(C)c(CCCN3CCOCC3)c2c1.
What is the InChIKey of 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine?
The InChIKey is WXAJQECHFCTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-11-14(2)18-17(12-13)16(15(3)19-18)5-4-6-20-7-9-21-10-8-20/h11-12,19H,4-10H2,1-3H3.
What are the key properties of 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine?
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine has a molecular weight of 286.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine is sourced from PubChem (CID 170871014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).