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

C15H30N4O — CID 110990839

IUPAC1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NC1CCCC1
InChIInChI=1S/C15H30N4O/c1-2-16-15(18-14-6-3-4-7-14)17-8-5-9-19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17,18)
InChIKeyZZHZPVCHNBCEMD-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.21
Rot. Bonds6

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

1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110990839) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110990839
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NC1CCCC1
InChIInChI=1S/C15H30N4O/c1-2-16-15(18-14-6-3-4-7-14)17-8-5-9-19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17,18)
InChIKeyZZHZPVCHNBCEMD-UHFFFAOYSA-N
XLogP1.21
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.21
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-(4-hydroxycyclohexyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111190319
1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 110990407
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
N-cyclohexyl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111188772
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111925131
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-prop-2-ynylguanidine
CID 136925418
1-cyclopentyl-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111771216
1-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110957961
1-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine;hydroiodide
CID 110989368

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 110990839) is 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is ZZHZPVCHNBCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-2-16-15(18-14-6-3-4-7-14)17-8-5-9-19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 282.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110990839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).