1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine

C18H26N4 — CID 111806478

IUPAC1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C18H26N4/c19-18(22-15-8-2-1-3-9-15)20-12-6-7-14-13-21-17-11-5-4-10-16(14)17/h4-5,10-11,13,15,21H,1-3,6-9,12H2,(H3,19,20,22)
InChIKeyLKBBOJKJVHTZEB-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine

1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine (PubChem CID 111806478) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
PubChem CID111806478
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C18H26N4/c19-18(22-15-8-2-1-3-9-15)20-12-6-7-14-13-21-17-11-5-4-10-16(14)17/h4-5,10-11,13,15,21H,1-3,6-9,12H2,(H3,19,20,22)
InChIKeyLKBBOJKJVHTZEB-UHFFFAOYSA-N
XLogP3.34
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]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

2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 111985074
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110990949
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111979481
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine (CID 111806478) is 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine is N/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The InChIKey is LKBBOJKJVHTZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c19-18(22-15-8-2-1-3-9-15)20-12-6-7-14-13-21-17-11-5-4-10-16(14)17/h4-5,10-11,13,15,21H,1-3,6-9,12H2,(H3,19,20,22).
What are the key properties of 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine has a molecular weight of 298.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine is sourced from PubChem (CID 111806478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).