1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile

C18H23N3 — CID 107916927

IUPAC1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
SMILESCC1CCCCC1NCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C18H23N3/c1-14-4-2-3-5-17(14)20-9-11-21-10-8-16-7-6-15(13-19)12-18(16)21/h6-8,10,12,14,17,20H,2-5,9,11H2,1H3
InChIKeyADTLSCWAVPXFAI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile

1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile (PubChem CID 107916927) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
PubChem CID107916927
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
SMILESCC1CCCCC1NCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C18H23N3/c1-14-4-2-3-5-17(14)20-9-11-21-10-8-16-7-6-15(13-19)12-18(16)21/h6-8,10,12,14,17,20H,2-5,9,11H2,1H3
InChIKeyADTLSCWAVPXFAI-UHFFFAOYSA-N
XLogP3.68
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile?
The IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile (CID 107916927) is 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile?
The canonical SMILES for 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile is CC1CCCCC1NCCn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile?
The InChIKey is ADTLSCWAVPXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-4-2-3-5-17(14)20-9-11-21-10-8-16-7-6-15(13-19)12-18(16)21/h6-8,10,12,14,17,20H,2-5,9,11H2,1H3.
What are the key properties of 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile?
1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile is sourced from PubChem (CID 107916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).