2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

C23H40N6O — CID 109467600

IUPAC2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(N(C)C)n1)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C23H40N6O/c1-4-24-22(25-17-20-9-8-10-21(27-20)28(2)3)26-18-23(11-6-5-7-12-23)19-29-13-15-30-16-14-29/h8-10H,4-7,11-19H2,1-3H3,(H2,24,25,26)
InChIKeyYWEJQJWJHQMFPX-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.49
Rot. Bonds8

About 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (PubChem CID 109467600) has the molecular formula C23H40N6O and a molecular weight of 416.61 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
PubChem CID109467600
Molecular FormulaC23H40N6O
Molecular Weight416.61 g/mol
Exact Mass416.33
IUPAC Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(N(C)C)n1)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C23H40N6O/c1-4-24-22(25-17-20-9-8-10-21(27-20)28(2)3)26-18-23(11-6-5-7-12-23)19-29-13-15-30-16-14-29/h8-10H,4-7,11-19H2,1-3H3,(H2,24,25,26)
InChIKeyYWEJQJWJHQMFPX-UHFFFAOYSA-N
XLogP2.49
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.49
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

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 109406401
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]guanidine
CID 109404127
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111964059
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 109477555
1-butan-2-yl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109400599
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 109402595
1-[(2-tert-butyloxan-3-yl)methyl]-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109403959
1-(1-cyclopropylpiperidin-4-yl)-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109404847
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 109406993
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109402645

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (CID 109467600) is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is CCN/C(=N\Cc1cccc(N(C)C)n1)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The InChIKey is YWEJQJWJHQMFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6O/c1-4-24-22(25-17-20-9-8-10-21(27-20)28(2)3)26-18-23(11-6-5-7-12-23)19-29-13-15-30-16-14-29/h8-10H,4-7,11-19H2,1-3H3,(H2,24,25,26).
What are the key properties of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine has a molecular weight of 416.61 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 109467600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).