N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide

C18H28N4 — CID 110955650

IUPACN-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN1c2ccccc2CC1C)N1CCCC1
InChIInChI=1S/C18H28N4/c1-3-19-18(21-11-6-7-12-21)20-10-13-22-15(2)14-16-8-4-5-9-17(16)22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,20)
InChIKeyDUGMPGVUVXGPMI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 110955650) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID110955650
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN1c2ccccc2CC1C)N1CCCC1
InChIInChI=1S/C18H28N4/c1-3-19-18(21-11-6-7-12-21)20-10-13-22-15(2)14-16-8-4-5-9-17(16)22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,20)
InChIKeyDUGMPGVUVXGPMI-UHFFFAOYSA-N
XLogP2.50
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111896095
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111896094
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-(4-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide
CID 111186028
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971986
2-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021207
N'-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302743
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185271
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide (CID 110955650) is N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCN1c2ccccc2CC1C)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is DUGMPGVUVXGPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-3-19-18(21-11-6-7-12-21)20-10-13-22-15(2)14-16-8-4-5-9-17(16)22/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 300.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).