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

C15H25N5O — CID 111050854

IUPAC1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1cccnc1N1CCOCC1
InChIInChI=1S/C15H25N5O/c1-15(2,3)19-14(16)18-11-12-5-4-6-17-13(12)20-7-9-21-10-8-20/h4-6H,7-11H2,1-3H3,(H3,16,18,19)
InChIKeyXOFCMVIIRPKSNT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.12
Rot. Bonds3

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

1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (PubChem CID 111050854) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
PubChem CID111050854
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1cccnc1N1CCOCC1
InChIInChI=1S/C15H25N5O/c1-15(2,3)19-14(16)18-11-12-5-4-6-17-13(12)20-7-9-21-10-8-20/h4-6H,7-11H2,1-3H3,(H3,16,18,19)
InChIKeyXOFCMVIIRPKSNT-UHFFFAOYSA-N
XLogP1.12
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.12
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-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111063190
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
1-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050837
1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033230
2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119118452
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111050910
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111598471
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473799
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473798
1-(2,2-diphenylethyl)-3-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111357122
N-ethyl-4-methyl-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111211434
1-(4-ethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111085844

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (CID 111050854) is 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1cccnc1N1CCOCC1.
What is the InChIKey of 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is XOFCMVIIRPKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)19-14(16)18-11-12-5-4-6-17-13(12)20-7-9-21-10-8-20/h4-6H,7-11H2,1-3H3,(H3,16,18,19).
What are the key properties of 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 291.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111050854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).