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

C16H32N4O — CID 111713658

IUPAC1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CC(C)N1CCOCC1)NCC
InChIInChI=1S/C16H32N4O/c1-4-6-14-11-15(14)19-16(17-5-2)18-12-13(3)20-7-9-21-10-8-20/h13-15H,4-12H2,1-3H3,(H2,17,18,19)
InChIKeyNFDUJWAFBMIMSI-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.45
Rot. Bonds7

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

1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713658) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
PubChem CID111713658
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CC(C)N1CCOCC1)NCC
InChIInChI=1S/C16H32N4O/c1-4-6-14-11-15(14)19-16(17-5-2)18-12-13(3)20-7-9-21-10-8-20/h13-15H,4-12H2,1-3H3,(H2,17,18,19)
InChIKeyNFDUJWAFBMIMSI-UHFFFAOYSA-N
XLogP1.45
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.45
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

1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713651
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318755
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111195780
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
CID 111713586
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111771894
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine (CID 111713658) is 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/CC(C)N1CCOCC1)NCC.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine?
The InChIKey is NFDUJWAFBMIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-6-14-11-15(14)19-16(17-5-2)18-12-13(3)20-7-9-21-10-8-20/h13-15H,4-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine?
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine has a molecular weight of 296.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).