3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile

C24H25N3 — CID 15290840

IUPAC3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile
SMILESCN(CCc1ccccc1)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C24H25N3/c1-27(14-13-18-5-3-2-4-6-18)21-10-8-20(9-11-21)23-17-26-24-12-7-19(16-25)15-22(23)24/h2-8,12,15,17,21,26H,9-11,13-14H2,1H3
InChIKeySKJTVBGNAWJXNZ-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.15
Rot. Bonds5

About 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile

3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile (PubChem CID 15290840) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile
PubChem CID15290840
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile
SMILESCN(CCc1ccccc1)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C24H25N3/c1-27(14-13-18-5-3-2-4-6-18)21-10-8-20(9-11-21)23-17-26-24-12-7-19(16-25)15-22(23)24/h2-8,12,15,17,21,26H,9-11,13-14H2,1H3
InChIKeySKJTVBGNAWJXNZ-UHFFFAOYSA-N
XLogP5.15
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile (CID 15290840) is 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile is CN(CCc1ccccc1)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.
What is the InChIKey of 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile?
The InChIKey is SKJTVBGNAWJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-27(14-13-18-5-3-2-4-6-18)21-10-8-20(9-11-21)23-17-26-24-12-7-19(16-25)15-22(23)24/h2-8,12,15,17,21,26H,9-11,13-14H2,1H3.
What are the key properties of 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile?
3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile has a molecular weight of 355.49 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 15290840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).