1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine

C17H34N4O — CID 111760391

IUPAC1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)NCC(C)N1CCOCC1
InChIInChI=1S/C17H34N4O/c1-4-18-16(20-14-17(3)7-5-6-8-17)19-13-15(2)21-9-11-22-12-10-21/h15H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeyXEKAWIUTZANFIU-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds6

About 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111760391) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111760391
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)NCC(C)N1CCOCC1
InChIInChI=1S/C17H34N4O/c1-4-18-16(20-14-17(3)7-5-6-8-17)19-13-15(2)21-9-11-22-12-10-21/h15H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeyXEKAWIUTZANFIU-UHFFFAOYSA-N
XLogP1.84
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
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-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111827267
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761958
1-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111510310
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-ethyl-2-(2-ethylbutyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111778316
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021902
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022217
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021603
1-ethyl-2-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111020871
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111499960
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111998804

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine (CID 111760391) is 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC1(C)CCCC1)NCC(C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is XEKAWIUTZANFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-18-16(20-14-17(3)7-5-6-8-17)19-13-15(2)21-9-11-22-12-10-21/h15H,4-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 310.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111760391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).