N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide

C16H22N4 — CID 110955580

IUPACN-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C16H22N4/c1-2-17-16(20-9-5-6-10-20)18-12-14-11-13-7-3-4-8-15(13)19-14/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,17,18)
InChIKeyCMMLYKPFFNEGHF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds3

About N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 110955580) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID110955580
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C16H22N4/c1-2-17-16(20-9-5-6-10-20)18-12-14-11-13-7-3-4-8-15(13)19-14/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,17,18)
InChIKeyCMMLYKPFFNEGHF-UHFFFAOYSA-N
XLogP2.73
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
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-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 111145802
N-ethyl-N'-(1H-indol-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378824
N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109486190
N-ethyl-4-(furan-2-carbonyl)-N'-(1H-indol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168658
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930820
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 111260908
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N'-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956007
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110955638
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
N-ethyl-N'-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 110955580) is N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is CMMLYKPFFNEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-17-16(20-9-5-6-10-20)18-12-14-11-13-7-3-4-8-15(13)19-14/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 270.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).