1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

C16H25N5O — CID 75534547

IUPAC1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)NC1CCCC1
InChIInChI=1S/C16H25N5O/c17-16(20-14-5-1-2-6-14)19-12-13-4-3-7-18-15(13)21-8-10-22-11-9-21/h3-4,7,14H,1-2,5-6,8-12H2,(H3,17,19,20)
InChIKeyYQGQFDURYLKTEH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.27
Rot. Bonds4

About 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (PubChem CID 75534547) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
PubChem CID75534547
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)NC1CCCC1
InChIInChI=1S/C16H25N5O/c17-16(20-14-5-1-2-6-14)19-12-13-4-3-7-18-15(13)21-8-10-22-11-9-21/h3-4,7,14H,1-2,5-6,8-12H2,(H3,17,19,20)
InChIKeyYQGQFDURYLKTEH-UHFFFAOYSA-N
XLogP1.27
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111598471
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119118452
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552
1-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050837
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120679689
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318386
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111050910
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
1-[3-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110992164
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111528843

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (CID 75534547) is 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is N/C(=N\Cc1cccnc1N1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is YQGQFDURYLKTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16(20-14-5-1-2-6-14)19-12-13-4-3-7-18-15(13)21-8-10-22-11-9-21/h3-4,7,14H,1-2,5-6,8-12H2,(H3,17,19,20).
What are the key properties of 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 303.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 75534547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).