3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine

C20H30N4O — CID 109385014

IUPAC3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCc1c(C)[nH]c2ccccc12)N(C)CC1CCOC1
InChIInChI=1S/C20H30N4O/c1-4-21-20(24(3)13-16-10-12-25-14-16)22-11-9-17-15(2)23-19-8-6-5-7-18(17)19/h5-8,16,23H,4,9-14H2,1-3H3,(H,21,22)
InChIKeyWDHCWNPWOSGQJN-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.95
Rot. Bonds6

About 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine

3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109385014) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109385014
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCc1c(C)[nH]c2ccccc12)N(C)CC1CCOC1
InChIInChI=1S/C20H30N4O/c1-4-21-20(24(3)13-16-10-12-25-14-16)22-11-9-17-15(2)23-19-8-6-5-7-18(17)19/h5-8,16,23H,4,9-14H2,1-3H3,(H,21,22)
InChIKeyWDHCWNPWOSGQJN-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-[2-(3-fluorophenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382760
3-ethyl-2-(1H-indol-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385708
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 109381896
3-ethyl-2-[2-(3-fluorophenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382759
3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382158
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109386106
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 109382020
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(3-phenoxypropyl)guanidine;hydroiodide
CID 109381993
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
2-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382802
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381930
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine (CID 109385014) is 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CCc1c(C)[nH]c2ccccc12)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is WDHCWNPWOSGQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-21-20(24(3)13-16-10-12-25-14-16)22-11-9-17-15(2)23-19-8-6-5-7-18(17)19/h5-8,16,23H,4,9-14H2,1-3H3,(H,21,22).
What are the key properties of 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine?
3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 342.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109385014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).