1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C18H28N4O — CID 47086552

IUPAC1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccccc1CN1CCOCC1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c19-18(21-17-7-3-4-8-17)20-13-15-5-1-2-6-16(15)14-22-9-11-23-12-10-22/h1-2,5-6,17H,3-4,7-14H2,(H3,19,20,21)
InChIKeyDRHXFEIYNLWTTO-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 47086552) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID47086552
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccccc1CN1CCOCC1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c19-18(21-17-7-3-4-8-17)20-13-15-5-1-2-6-16(15)14-22-9-11-23-12-10-22/h1-2,5-6,17H,3-4,7-14H2,(H3,19,20,21)
InChIKeyDRHXFEIYNLWTTO-UHFFFAOYSA-N
XLogP1.87
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.87
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-cyclopropyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110914065
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
1-cycloheptyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110028847
1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033230
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
1-cyclopropyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110028746
2-[[N-cyclopentyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842711
2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033221
1-(3,5-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033224
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120679689
ethyl 4-[[N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111036680
ethyl 4-[[N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111036679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 47086552) is 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is N/C(=N\Cc1ccccc1CN1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is DRHXFEIYNLWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-18(21-17-7-3-4-8-17)20-13-15-5-1-2-6-16(15)14-22-9-11-23-12-10-22/h1-2,5-6,17H,3-4,7-14H2,(H3,19,20,21).
What are the key properties of 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 316.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 47086552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).