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

C25H30N6 — CID 69151289

IUPAC2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
SMILESN/C(=N\CCCCc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H30N6/c26-25(27-15-7-5-9-19-17-28-23-13-3-1-11-21(19)23)31-30-16-8-6-10-20-18-29-24-14-4-2-12-22(20)24/h1-4,11-14,16-18,28-29H,5-10,15H2,(H3,26,27,31)
InChIKeyMRLZTNWZNYWRKK-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.88
Rot. Bonds10

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

2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine (PubChem CID 69151289) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
PubChem CID69151289
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
SMILESN/C(=N\CCCCc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H30N6/c26-25(27-15-7-5-9-19-17-28-23-13-3-1-11-21(19)23)31-30-16-8-6-10-20-18-29-24-14-4-2-12-22(20)24/h1-4,11-14,16-18,28-29H,5-10,15H2,(H3,26,27,31)
InChIKeyMRLZTNWZNYWRKK-UHFFFAOYSA-N
XLogP4.88
TPSA94.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.88
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

1-[4-(1H-indol-3-yl)butylideneamino]-2-(1H-indol-3-ylmethyl)guanidine
CID 69151655
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
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
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
8-(1H-indol-3-yl)octan-1-amine
CID 57188115

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine?
The IUPAC name of 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine (CID 69151289) is 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine?
The canonical SMILES for 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine is N/C(=N\CCCCc1c[nH]c2ccccc12)NN=CCCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine?
The InChIKey is MRLZTNWZNYWRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c26-25(27-15-7-5-9-19-17-28-23-13-3-1-11-21(19)23)31-30-16-8-6-10-20-18-29-24-14-4-2-12-22(20)24/h1-4,11-14,16-18,28-29H,5-10,15H2,(H3,26,27,31).
What are the key properties of 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine?
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine has a molecular weight of 414.56 g/mol, XLogP of 4.88, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine is sourced from PubChem (CID 69151289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).