1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C13H26N4O — CID 110987978

IUPAC1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC1CC1
InChIInChI=1S/C13H26N4O/c1-3-14-13(16-12-4-5-12)15-10-11(2)17-6-8-18-9-7-17/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyRQRVNVIHEQIVJE-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.42
Rot. Bonds5

About 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 110987978) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID110987978
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC1CC1
InChIInChI=1S/C13H26N4O/c1-3-14-13(16-12-4-5-12)15-10-11(2)17-6-8-18-9-7-17/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyRQRVNVIHEQIVJE-UHFFFAOYSA-N
XLogP0.42
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-(2-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318755
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110959191
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713658
1-cyclopentyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 110990487
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111918179
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111255723
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317119
1-cyclopropyl-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110989433

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 110987978) is 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is RQRVNVIHEQIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-14-13(16-12-4-5-12)15-10-11(2)17-6-8-18-9-7-17/h11-12H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 254.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110987978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).