1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C17H32N4O — CID 111930025

IUPAC1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCC1CCC(C)CC1
InChIInChI=1S/C17H32N4O/c1-3-18-17(19-12-15-8-6-14(2)7-9-15)20-13-16(22)21-10-4-5-11-21/h14-15H,3-13H2,1-2H3,(H2,18,19,20)
InChIKeyQFFZAGOQSRLAAT-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.99
Rot. Bonds5

About 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111930025) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111930025
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCC1CCC(C)CC1
InChIInChI=1S/C17H32N4O/c1-3-18-17(19-12-15-8-6-14(2)7-9-15)20-13-16(22)21-10-4-5-11-21/h14-15H,3-13H2,1-2H3,(H2,18,19,20)
InChIKeyQFFZAGOQSRLAAT-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111256941
1-ethyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111928756
1-(2-cyclohexylethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929629
N-ethyl-4-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111211907
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
1-(4-cyclopentylbutyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111608690
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
tert-butyl N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111884531
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928959
tert-butyl 2-[[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111930006
1-(2-ethoxyethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111895625
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111929718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 111930025) is 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is CCN/C(=N\CC(=O)N1CCCC1)NCC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is QFFZAGOQSRLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-3-18-17(19-12-15-8-6-14(2)7-9-15)20-13-16(22)21-10-4-5-11-21/h14-15H,3-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 308.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methylcyclohexyl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111930025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).