1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine

C15H30N4O — CID 111123659

IUPAC1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
SMILESC/N=C(/NCC1(N2CCOCC2)CCCCC1)N(C)C
InChIInChI=1S/C15H30N4O/c1-16-14(18(2)3)17-13-15(7-5-4-6-8-15)19-9-11-20-12-10-19/h4-13H2,1-3H3,(H,16,17)
InChIKeyXGRFKEHODCIAMG-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.16
Rot. Bonds3

About 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine

1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine (PubChem CID 111123659) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
PubChem CID111123659
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
SMILESC/N=C(/NCC1(N2CCOCC2)CCCCC1)N(C)C
InChIInChI=1S/C15H30N4O/c1-16-14(18(2)3)17-13-15(7-5-4-6-8-15)19-9-11-20-12-10-19/h4-13H2,1-3H3,(H,16,17)
InChIKeyXGRFKEHODCIAMG-UHFFFAOYSA-N
XLogP1.16
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
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

N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111571502
N,N-dimethyl-3-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111004204
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004006
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004352
1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8788201
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
CID 111713768
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003344
2-methyl-1-(2-methylsulfonylethyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003488
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111611891
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111653451

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine (CID 111123659) is 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine is C/N=C(/NCC1(N2CCOCC2)CCCCC1)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine?
The InChIKey is XGRFKEHODCIAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-16-14(18(2)3)17-13-15(7-5-4-6-8-15)19-9-11-20-12-10-19/h4-13H2,1-3H3,(H,16,17).
What are the key properties of 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine?
1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine has a molecular weight of 282.43 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111123659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).