1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C20H43N5O — CID 111692462

IUPAC1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C20H43N5O/c1-8-21-19(22-10-9-11-25(17(2)3)18(4)5)23-16-20(6,7)24-12-14-26-15-13-24/h17-18H,8-16H2,1-7H3,(H2,21,22,23)
InChIKeyZAWYQIHGECDMSE-UHFFFAOYSA-N
MW369.60 g/mol
LogP2.16
Rot. Bonds10

About 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111692462) has the molecular formula C20H43N5O and a molecular weight of 369.60 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111692462
Molecular FormulaC20H43N5O
Molecular Weight369.60 g/mol
Exact Mass369.35
IUPAC Name1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C20H43N5O/c1-8-21-19(22-10-9-11-25(17(2)3)18(4)5)23-16-20(6,7)24-12-14-26-15-13-24/h17-18H,8-16H2,1-7H3,(H2,21,22,23)
InChIKeyZAWYQIHGECDMSE-UHFFFAOYSA-N
XLogP2.16
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314970
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314269
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-ethyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315525
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315617
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111187173
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314392
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111314112

Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111692462) is 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is ZAWYQIHGECDMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N5O/c1-8-21-19(22-10-9-11-25(17(2)3)18(4)5)23-16-20(6,7)24-12-14-26-15-13-24/h17-18H,8-16H2,1-7H3,(H2,21,22,23).
What are the key properties of 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 369.60 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111692462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).