1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

C13H26N4O — CID 78931960

IUPAC1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCN1CCOC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C13H26N4O/c1-17-7-8-18-12(10-17)9-15-13(14)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H3,14,15,16)
InChIKeyAELBSVZXVKUYRF-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.55
Rot. Bonds3

About 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 78931960) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID78931960
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCN1CCOC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C13H26N4O/c1-17-7-8-18-12(10-17)9-15-13(14)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H3,14,15,16)
InChIKeyAELBSVZXVKUYRF-UHFFFAOYSA-N
XLogP0.55
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 78931960) is 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine is CN1CCOC(C/N=C(\N)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is AELBSVZXVKUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-17-7-8-18-12(10-17)9-15-13(14)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 254.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 78931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).