1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine

C15H20N4 — CID 111100831

IUPAC1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCc1cccc2[nH]cc(CC/N=C(\N)NC3CC3)c12
InChIInChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)11(9-18-13)7-8-17-15(16)19-12-5-6-12/h2-4,9,12,18H,5-8H2,1H3,(H3,16,17,19)
InChIKeyLIXOCBHVWUUWIW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds4

About 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine

1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111100831) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111100831
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCc1cccc2[nH]cc(CC/N=C(\N)NC3CC3)c12
InChIInChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)11(9-18-13)7-8-17-15(16)19-12-5-6-12/h2-4,9,12,18H,5-8H2,1H3,(H3,16,17,19)
InChIKeyLIXOCBHVWUUWIW-UHFFFAOYSA-N
XLogP2.09
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
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'}

Analyze 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine 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

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111190424
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111190423
1-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111100810
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-(3,4-dimethoxyphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100846
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
CID 110917136
4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960334
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
CID 117184532
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111100831) is 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine is Cc1cccc2[nH]cc(CC/N=C(\N)NC3CC3)c12.
What is the InChIKey of 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is LIXOCBHVWUUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)11(9-18-13)7-8-17-15(16)19-12-5-6-12/h2-4,9,12,18H,5-8H2,1H3,(H3,16,17,19).
What are the key properties of 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 256.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111100831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).