1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine

C22H24N6 — CID 69151655

IUPAC1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine
SMILESN/C(=N\Cc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N6/c23-22(26-15-17-14-25-21-11-4-2-9-19(17)21)28-27-12-6-5-7-16-13-24-20-10-3-1-8-18(16)20/h1-4,8-14,24-25H,5-7,15H2,(H3,23,26,28)
InChIKeyOYVWMPJCNSOYAP-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.06
Rot. Bonds7

About 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine

1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine (PubChem CID 69151655) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine
PubChem CID69151655
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine
SMILESN/C(=N\Cc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N6/c23-22(26-15-17-14-25-21-11-4-2-9-19(17)21)28-27-12-6-5-7-16-13-24-20-10-3-1-8-18(16)20/h1-4,8-14,24-25H,5-7,15H2,(H3,23,26,28)
InChIKeyOYVWMPJCNSOYAP-UHFFFAOYSA-N
XLogP4.06
TPSA94.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
4-(1H-indol-3-yl)butanamide
CID 588715
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-heptyl-1H-indole
CID 15360907
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine?
The IUPAC name of 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine (CID 69151655) is 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine?
The canonical SMILES for 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine is N/C(=N\Cc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine?
The InChIKey is OYVWMPJCNSOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c23-22(26-15-17-14-25-21-11-4-2-9-19(17)21)28-27-12-6-5-7-16-13-24-20-10-3-1-8-18(16)20/h1-4,8-14,24-25H,5-7,15H2,(H3,23,26,28).
What are the key properties of 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine?
1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine has a molecular weight of 372.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine is sourced from PubChem (CID 69151655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).