1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine

C15H20N4 — CID 111962373

IUPAC1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCc1cc2ccccc2[nH]1)NC1CC1C
InChIInChI=1S/C15H20N4/c1-10-7-14(10)19-15(16-2)17-9-12-8-11-5-3-4-6-13(11)18-12/h3-6,8,10,14,18H,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyHJVGAVRWUSMDND-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.24
Rot. Bonds3

About 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine

1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111962373) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111962373
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCc1cc2ccccc2[nH]1)NC1CC1C
InChIInChI=1S/C15H20N4/c1-10-7-14(10)19-15(16-2)17-9-12-8-11-5-3-4-6-13(11)18-12/h3-6,8,10,14,18H,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyHJVGAVRWUSMDND-UHFFFAOYSA-N
XLogP2.24
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
1-(1H-indol-2-ylmethyl)-2-methyl-3-pentylguanidine
CID 111130538
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111136371
1-[(2-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111265302
1-(1H-indol-2-ylmethyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974245
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610242
1-(1H-indol-2-ylmethyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421271
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111925273
1-(1H-indol-2-ylmethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111857329
1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111877154
N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210616
1-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111844765

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine (CID 111962373) is 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine is C/N=C(\NCc1cc2ccccc2[nH]1)NC1CC1C.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is HJVGAVRWUSMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-7-14(10)19-15(16-2)17-9-12-8-11-5-3-4-6-13(11)18-12/h3-6,8,10,14,18H,7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine?
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 256.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111962373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).