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

C16H30N4O — CID 111256941

IUPAC1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NC1CCC(C)CC1
InChIInChI=1S/C16H30N4O/c1-3-17-16(19-14-8-6-13(2)7-9-14)18-12-15(21)20-10-4-5-11-20/h13-14H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyBCIMVHHAWJVCJN-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.74
Rot. Bonds4

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

1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111256941) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111256941
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NC1CCC(C)CC1
InChIInChI=1S/C16H30N4O/c1-3-17-16(19-14-8-6-13(2)7-9-14)18-12-15(21)20-10-4-5-11-20/h13-14H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyBCIMVHHAWJVCJN-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.74
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)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111930025
ethyl 4-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329836
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111918424
N-ethyl-4-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111211907
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
1-(2-cyclohexylethyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929629
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928959
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
1-butan-2-yl-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110945721
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-prop-2-enylguanidine
CID 110982629

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 111256941) is 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is CCN/C(=N\CC(=O)N1CCCC1)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is BCIMVHHAWJVCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-17-16(19-14-8-6-13(2)7-9-14)18-12-15(21)20-10-4-5-11-20/h13-14H,3-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 294.44 g/mol, XLogP of 1.74, 4 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)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111256941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).