2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile

C19H25N3O — CID 167707740

IUPAC2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(C#N)CN1CCOCC1
InChIInChI=1S/C19H25N3O/c1-14-4-5-19-18(10-14)15(2)16(3)22(19)13-17(11-20)12-21-6-8-23-9-7-21/h4-5,10,17H,6-9,12-13H2,1-3H3
InChIKeyAMACTWHIHPWMGO-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.04
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile

2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile (PubChem CID 167707740) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile
PubChem CID167707740
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(C#N)CN1CCOCC1
InChIInChI=1S/C19H25N3O/c1-14-4-5-19-18(10-14)15(2)16(3)22(19)13-17(11-20)12-21-6-8-23-9-7-21/h4-5,10,17H,6-9,12-13H2,1-3H3
InChIKeyAMACTWHIHPWMGO-UHFFFAOYSA-N
XLogP3.04
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089151
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
CID 11836828
[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
CID 1208359
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
3-[(2,3-dimethylindol-1-yl)methyl]-4-morpholin-4-ylbutanenitrile;N-[2-[(2,3-dimethylindol-1-yl)methyl]-3-morpholin-4-ylpropyl]acetamide
CID 167604130
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile (CID 167707740) is 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile is Cc1ccc2c(c1)c(C)c(C)n2CC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile?
The InChIKey is AMACTWHIHPWMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-4-5-19-18(10-14)15(2)16(3)22(19)13-17(11-20)12-21-6-8-23-9-7-21/h4-5,10,17H,6-9,12-13H2,1-3H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile?
2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile has a molecular weight of 311.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile is sourced from PubChem (CID 167707740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).