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

C19H31N5O — CID 111049108

IUPAC1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)NC3CCCCC3)cn2)CC(C)O1
InChIInChI=1S/C19H31N5O/c1-14-12-24(13-15(2)25-14)18-9-8-16(10-21-18)11-22-19(20)23-17-6-4-3-5-7-17/h8-10,14-15,17H,3-7,11-13H2,1-2H3,(H3,20,22,23)
InChIKeyCHHRQGHGNYHVLF-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.43
Rot. Bonds4

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

1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 111049108) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
PubChem CID111049108
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)NC3CCCCC3)cn2)CC(C)O1
InChIInChI=1S/C19H31N5O/c1-14-12-24(13-15(2)25-14)18-9-8-16(10-21-18)11-22-19(20)23-17-6-4-3-5-7-17/h8-10,14-15,17H,3-7,11-13H2,1-2H3,(H3,20,22,23)
InChIKeyCHHRQGHGNYHVLF-UHFFFAOYSA-N
XLogP2.43
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.43
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-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 119118388
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049158
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
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
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
[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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (CID 111049108) is 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is CC1CN(c2ccc(C/N=C(\N)NC3CCCCC3)cn2)CC(C)O1.
What is the InChIKey of 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is CHHRQGHGNYHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14-12-24(13-15(2)25-14)18-9-8-16(10-21-18)11-22-19(20)23-17-6-4-3-5-7-17/h8-10,14-15,17H,3-7,11-13H2,1-2H3,(H3,20,22,23).
What are the key properties of 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 345.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111049108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).