2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

C20H33N5 — CID 111973740

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N(C)C)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C20H33N5/c1-7-21-19(24-14-20(3,4)25(5)6)22-11-10-16-13-23-18-12-15(2)8-9-17(16)18/h8-9,12-13,23H,7,10-11,14H2,1-6H3,(H2,21,22,24)
InChIKeySVHZOBYVQVFZSF-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111973740) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111973740
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N(C)C)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C20H33N5/c1-7-21-19(24-14-20(3,4)25(5)6)22-11-10-16-13-23-18-12-15(2)8-9-17(16)18/h8-9,12-13,23H,7,10-11,14H2,1-6H3,(H2,21,22,24)
InChIKeySVHZOBYVQVFZSF-UHFFFAOYSA-N
XLogP2.91
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996636
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111635124
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973908
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111658461
1-tert-butyl-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110965711
2-(3-ethoxypropyl)-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111222952
methyl 5-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]pentanoate
CID 111973824
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111715607
propan-2-yl 3-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]propanoate
CID 111973770
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934187
1-ethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974271
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111973740) is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CC(C)(C)N(C)C)NCCc1c[nH]c2cc(C)ccc12.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is SVHZOBYVQVFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-7-21-19(24-14-20(3,4)25(5)6)22-11-10-16-13-23-18-12-15(2)8-9-17(16)18/h8-9,12-13,23H,7,10-11,14H2,1-6H3,(H2,21,22,24).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 343.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111973740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).