N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide

C18H26N4 — CID 111117711

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12
InChIInChI=1S/C18H26N4/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyYFNRSXUFAPMAQB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111117711) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111117711
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESCCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12
InChIInChI=1S/C18H26N4/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyYFNRSXUFAPMAQB-UHFFFAOYSA-N
XLogP2.94
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449171
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834479
N'-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444138
N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111835793
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56787167
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407356
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109396733
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837140

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 111117711) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is CCc1cccc2c(CCN/C(=N/C)N3CCCC3)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is YFNRSXUFAPMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-14-7-6-8-16-15(13-21-17(14)16)9-10-20-18(19-2)22-11-4-5-12-22/h6-8,13,21H,3-5,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 298.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111117711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).