N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide

C17H24N4 — CID 110933615

IUPACN-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCn1ccc2ccccc21)N1CCCC1
InChIInChI=1S/C17H24N4/c1-18-17(21-11-4-5-12-21)19-10-6-13-20-14-9-15-7-2-3-8-16(15)20/h2-3,7-9,14H,4-6,10-13H2,1H3,(H,18,19)
InChIKeyOKCLHPUAAIMPCW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.70
Rot. Bonds4

About N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide

N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 110933615) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID110933615
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCn1ccc2ccccc21)N1CCCC1
InChIInChI=1S/C17H24N4/c1-18-17(21-11-4-5-12-21)19-10-6-13-20-14-9-15-7-2-3-8-16(15)20/h2-3,7-9,14H,4-6,10-13H2,1H3,(H,18,19)
InChIKeyOKCLHPUAAIMPCW-UHFFFAOYSA-N
XLogP2.70
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
CID 111959403
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341691
1-(3-indol-1-ylpropyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111341971
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
1-[4-(diethylamino)butyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341527
1-butan-2-yl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110944723
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-(3-indol-1-ylpropyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111341693

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide (CID 110933615) is N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCCCn1ccc2ccccc21)N1CCCC1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is OKCLHPUAAIMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-18-17(21-11-4-5-12-21)19-10-6-13-20-14-9-15-7-2-3-8-16(15)20/h2-3,7-9,14H,4-6,10-13H2,1H3,(H,18,19).
What are the key properties of N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide?
N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 284.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).