1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

C17H24N6 — CID 167844425

IUPAC1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCN(C)CCC/N=C(\NC#N)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N6/c1-23(2)11-5-9-19-17(22-13-18)20-10-8-14-12-21-16-7-4-3-6-15(14)16/h3-4,6-7,12,21H,5,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyIJPIGDPRSNBDCT-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.68
Rot. Bonds7

About 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 167844425) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID167844425
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCN(C)CCC/N=C(\NC#N)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H24N6/c1-23(2)11-5-9-19-17(22-13-18)20-10-8-14-12-21-16-7-4-3-6-15(14)16/h3-4,6-7,12,21H,5,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyIJPIGDPRSNBDCT-UHFFFAOYSA-N
XLogP1.68
TPSA79.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
methyl 7-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate
CID 110997171
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
methyl 7-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 110997170
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996636
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111826736
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (CID 167844425) is 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is CN(C)CCC/N=C(\NC#N)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is IJPIGDPRSNBDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-23(2)11-5-9-19-17(22-13-18)20-10-8-14-12-21-16-7-4-3-6-15(14)16/h3-4,6-7,12,21H,5,8-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 312.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 167844425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).