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

C17H28N4O — CID 111033230

IUPAC1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)20-16(18)19-12-14-6-4-5-7-15(14)13-21-8-10-22-11-9-21/h4-7H,8-13H2,1-3H3,(H3,18,19,20)
InChIKeySRSCFLSHIQOEFD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.72
Rot. Bonds4

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

1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111033230) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111033230
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)20-16(18)19-12-14-6-4-5-7-15(14)13-21-8-10-22-11-9-21/h4-7H,8-13H2,1-3H3,(H3,18,19,20)
InChIKeySRSCFLSHIQOEFD-UHFFFAOYSA-N
XLogP1.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.72
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-tert-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110966606
1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111063190
1-(3,5-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033224
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552
2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033221
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
1-(2,5-dimethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111033263
1-tert-butyl-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110966603
1-tert-butyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052596
1-(2,5-diethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033288
1-[2-(4-methoxyphenyl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086555
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111033230) is 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is SRSCFLSHIQOEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)20-16(18)19-12-14-6-4-5-7-15(14)13-21-8-10-22-11-9-21/h4-7H,8-13H2,1-3H3,(H3,18,19,20).
What are the key properties of 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 304.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111033230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).