4-(1-butyl-2-methylindol-5-yl)morpholine

C17H24N2O — CID 57179442

IUPAC4-(1-butyl-2-methylindol-5-yl)morpholine
SMILESCCCCn1c(C)cc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-3-4-7-19-14(2)12-15-13-16(5-6-17(15)19)18-8-10-20-11-9-18/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyYANDQFLRPJLKRW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.59
Rot. Bonds4

About 4-(1-butyl-2-methylindol-5-yl)morpholine

4-(1-butyl-2-methylindol-5-yl)morpholine (PubChem CID 57179442) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(1-butyl-2-methylindol-5-yl)morpholine.

Molecular Properties

Compound Name4-(1-butyl-2-methylindol-5-yl)morpholine
PubChem CID57179442
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(1-butyl-2-methylindol-5-yl)morpholine
SMILESCCCCn1c(C)cc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-3-4-7-19-14(2)12-15-13-16(5-6-17(15)19)18-8-10-20-11-9-18/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyYANDQFLRPJLKRW-UHFFFAOYSA-N
XLogP3.59
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1-methyl-2-phenylindol-5-yl)morpholine
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2-methyl-1-tetradecylindole
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4-(4-ethyl-3-methylphenyl)morpholine
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CID 110501398
4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine
CID 12669814
N-butyl-4-morpholin-4-ylaniline
CID 28675754
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
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16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-2-methylindol-5-yl)morpholine?
The IUPAC name of 4-(1-butyl-2-methylindol-5-yl)morpholine (CID 57179442) is 4-(1-butyl-2-methylindol-5-yl)morpholine.
What is the SMILES notation for 4-(1-butyl-2-methylindol-5-yl)morpholine?
The canonical SMILES for 4-(1-butyl-2-methylindol-5-yl)morpholine is CCCCn1c(C)cc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 4-(1-butyl-2-methylindol-5-yl)morpholine?
The InChIKey is YANDQFLRPJLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-7-19-14(2)12-15-13-16(5-6-17(15)19)18-8-10-20-11-9-18/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 4-(1-butyl-2-methylindol-5-yl)morpholine?
4-(1-butyl-2-methylindol-5-yl)morpholine has a molecular weight of 272.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-2-methylindol-5-yl)morpholine is sourced from PubChem (CID 57179442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).