1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine

C14H28N4O2 — CID 111234479

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCCC1=O)NC(C)COC
InChIInChI=1S/C14H28N4O2/c1-4-15-14(17-12(2)11-20-3)16-8-6-10-18-9-5-7-13(18)19/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyGVYZSCDCOXLIHQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.59
Rot. Bonds8

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine

1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine (PubChem CID 111234479) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
PubChem CID111234479
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCCC1=O)NC(C)COC
InChIInChI=1S/C14H28N4O2/c1-4-15-14(17-12(2)11-20-3)16-8-6-10-18-9-5-7-13(18)19/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyGVYZSCDCOXLIHQ-UHFFFAOYSA-N
XLogP0.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-octan-2-yl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111212288
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146908
1-ethyl-3-(3-methylbutyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 110978181
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948955
1-ethyl-3-[4-[methyl(propan-2-yl)amino]butyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147713
1-[2-(diethylamino)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147916
1-ethyl-3-(1-methoxypropan-2-yl)-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111782949
methyl 5-[[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]pentanoate
CID 111147851
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111236935
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111348368
1-[3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]propyl]piperidine-3-carboxamide
CID 111235615
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111347894

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine (CID 111234479) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine is CCN/C(=N\CCCN1CCCC1=O)NC(C)COC.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
The InChIKey is GVYZSCDCOXLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-15-14(17-12(2)11-20-3)16-8-6-10-18-9-5-7-13(18)19/h12H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine?
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine has a molecular weight of 284.40 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111234479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).