ethane;methane;3-pentyl-1H-indole-5-carbonitrile

C17H26N2 — CID 142891343

IUPACethane;methane;3-pentyl-1H-indole-5-carbonitrile
SMILESC.CC.CCCCCc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C14H16N2.C2H6.CH4/c1-2-3-4-5-12-10-16-14-7-6-11(9-15)8-13(12)14;1-2;/h6-8,10,16H,2-5H2,1H3;1-2H3;1H4
InChIKeyCSTKSFBRJXLGHG-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.43
Rot. Bonds4

About ethane;methane;3-pentyl-1H-indole-5-carbonitrile

ethane;methane;3-pentyl-1H-indole-5-carbonitrile (PubChem CID 142891343) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;methane;3-pentyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Nameethane;methane;3-pentyl-1H-indole-5-carbonitrile
PubChem CID142891343
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Nameethane;methane;3-pentyl-1H-indole-5-carbonitrile
SMILESC.CC.CCCCCc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C14H16N2.C2H6.CH4/c1-2-3-4-5-12-10-16-14-7-6-11(9-15)8-13(12)14;1-2;/h6-8,10,16H,2-5H2,1H3;1-2H3;1H4
InChIKeyCSTKSFBRJXLGHG-UHFFFAOYSA-N
XLogP5.43
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;methane;3-pentyl-1H-indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
3-[4-[ethyl(pyridin-3-yl)amino]butyl]-1H-indole-5-carbonitrile
CID 10313828
4-hexylbenzene-1,3-dicarbonitrile
CID 54303199
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-heptyl-1H-indole
CID 15360907
3-[3-[tert-butyl(diphenyl)-λ4-sulfanyl]oxypropyl]-1H-indole-5-carbonitrile
CID 163968729
3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
CID 10470310
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-N-hexan-2-yl-N-phenylacetamide
CID 175405707
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-pentyl-1H-indole-5-carbonitrile?
The IUPAC name of ethane;methane;3-pentyl-1H-indole-5-carbonitrile (CID 142891343) is ethane;methane;3-pentyl-1H-indole-5-carbonitrile.
What is the SMILES notation for ethane;methane;3-pentyl-1H-indole-5-carbonitrile?
The canonical SMILES for ethane;methane;3-pentyl-1H-indole-5-carbonitrile is C.CC.CCCCCc1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of ethane;methane;3-pentyl-1H-indole-5-carbonitrile?
The InChIKey is CSTKSFBRJXLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C2H6.CH4/c1-2-3-4-5-12-10-16-14-7-6-11(9-15)8-13(12)14;1-2;/h6-8,10,16H,2-5H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;3-pentyl-1H-indole-5-carbonitrile?
ethane;methane;3-pentyl-1H-indole-5-carbonitrile has a molecular weight of 258.41 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-pentyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 142891343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).