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

C16H25N5O2 — CID 119118452

IUPAC2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)NCC1CCCO1
InChIInChI=1S/C16H25N5O2/c17-16(20-12-14-4-2-8-23-14)19-11-13-3-1-5-18-15(13)21-6-9-22-10-7-21/h1,3,5,14H,2,4,6-12H2,(H3,17,19,20)
InChIKeyJCVMPTJRIUMSEF-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.50
Rot. Bonds5

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

2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 119118452) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID119118452
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)NCC1CCCO1
InChIInChI=1S/C16H25N5O2/c17-16(20-12-14-4-2-8-23-14)19-11-13-3-1-5-18-15(13)21-6-9-22-10-7-21/h1,3,5,14H,2,4,6-12H2,(H3,17,19,20)
InChIKeyJCVMPTJRIUMSEF-UHFFFAOYSA-N
XLogP0.50
TPSA85.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
2-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 122081803
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
1-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050837
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111598471
2-[[2-(methylsulfonylmethyl)phenyl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111799806
(3R)-N-ethyl-3-hydroxy-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111551106
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111050910
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 95766827
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119120768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine (CID 119118452) is 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine is N/C(=N\Cc1cccnc1N1CCOCC1)NCC1CCCO1.
What is the InChIKey of 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is JCVMPTJRIUMSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-16(20-12-14-4-2-8-23-14)19-11-13-3-1-5-18-15(13)21-6-9-22-10-7-21/h1,3,5,14H,2,4,6-12H2,(H3,17,19,20).
What are the key properties of 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 319.41 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 119118452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).