4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile

C17H23N3 — CID 117038204

IUPAC4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
SMILESCN(C)C1(C#N)CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3/c1-19(2)17(13-18)10-7-15(8-11-17)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,7-12H2,1-2H3
InChIKeyXUTGBWXLGALVGB-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.82
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile

4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile (PubChem CID 117038204) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
PubChem CID117038204
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
SMILESCN(C)C1(C#N)CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3/c1-19(2)17(13-18)10-7-15(8-11-17)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,7-12H2,1-2H3
InChIKeyXUTGBWXLGALVGB-UHFFFAOYSA-N
XLogP2.82
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
CID 117038171
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43291692
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 9432014
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile
CID 22038219
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile (CID 117038204) is 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile is CN(C)C1(C#N)CCC(N2CCc3ccccc32)CC1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile?
The InChIKey is XUTGBWXLGALVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19(2)17(13-18)10-7-15(8-11-17)20-12-9-14-5-3-4-6-16(14)20/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile?
4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 117038204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).