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

C16H24N4 — CID 111806494

IUPAC1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCCCN/C(N)=N/CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-2-3-10-18-16(17)19-11-6-7-13-12-20-15-9-5-4-8-14(13)15/h4-5,8-9,12,20H,2-3,6-7,10-11H2,1H3,(H3,17,18,19)
InChIKeyVSRKJEHLXPUMCV-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.80
Rot. Bonds7

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

1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine (PubChem CID 111806494) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
PubChem CID111806494
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCCCN/C(N)=N/CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-2-3-10-18-16(17)19-11-6-7-13-12-20-15-9-5-4-8-14(13)15/h4-5,8-9,12,20H,2-3,6-7,10-11H2,1H3,(H3,17,18,19)
InChIKeyVSRKJEHLXPUMCV-UHFFFAOYSA-N
XLogP2.80
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.80
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'}

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Related Compounds

2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
CID 111802162
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289
3-heptyl-1H-indole
CID 15360907
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The IUPAC name of 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine (CID 111806494) is 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine.
What is the SMILES notation for 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The canonical SMILES for 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine is CCCCN/C(N)=N/CCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
The InChIKey is VSRKJEHLXPUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-10-18-16(17)19-11-6-7-13-12-20-15-9-5-4-8-14(13)15/h4-5,8-9,12,20H,2-3,6-7,10-11H2,1H3,(H3,17,18,19).
What are the key properties of 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine?
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine has a molecular weight of 272.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine is sourced from PubChem (CID 111806494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).