1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

C17H29N5O — CID 119118388

IUPAC1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)NC(C)(C)C)cn2)CC(C)O1
InChIInChI=1S/C17H29N5O/c1-12-10-22(11-13(2)23-12)15-7-6-14(8-19-15)9-20-16(18)21-17(3,4)5/h6-8,12-13H,9-11H2,1-5H3,(H3,18,20,21)
InChIKeyJOHUNGLTVXFFGZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.90
Rot. Bonds3

About 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 119118388) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
PubChem CID119118388
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)NC(C)(C)C)cn2)CC(C)O1
InChIInChI=1S/C17H29N5O/c1-12-10-22(11-13(2)23-12)15-7-6-14(8-19-15)9-20-16(18)21-17(3,4)5/h6-8,12-13H,9-11H2,1-5H3,(H3,18,20,21)
InChIKeyJOHUNGLTVXFFGZ-UHFFFAOYSA-N
XLogP1.90
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.90
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

2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049158
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-tert-butylguanidine
CID 111049192
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
CID 111049126
1-(2,6-diethylphenyl)-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049127
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111049165
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
1-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111151513
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-hexylguanidine
CID 111161765
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-(3,5-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049272

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (CID 119118388) is 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is CC1CN(c2ccc(C/N=C(\N)NC(C)(C)C)cn2)CC(C)O1.
What is the InChIKey of 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is JOHUNGLTVXFFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-10-22(11-13(2)23-12)15-7-6-14(8-19-15)9-20-16(18)21-17(3,4)5/h6-8,12-13H,9-11H2,1-5H3,(H3,18,20,21).
What are the key properties of 1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 319.45 g/mol, XLogP of 1.90, 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-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 119118388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).