2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine

C13H24N4O — CID 126558970

IUPAC2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine
SMILESC=N/C(=N\C)NC1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H24N4O/c1-14-13(15-2)16-11-3-5-12(6-4-11)17-7-9-18-10-8-17/h11-12H,1,3-10H2,2H3,(H,15,16)
InChIKeyARACQUAZBAYDJZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.91
Rot. Bonds2

About 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine

2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine (PubChem CID 126558970) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine
PubChem CID126558970
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine
SMILESC=N/C(=N\C)NC1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H24N4O/c1-14-13(15-2)16-11-3-5-12(6-4-11)17-7-9-18-10-8-17/h11-12H,1,3-10H2,2H3,(H,15,16)
InChIKeyARACQUAZBAYDJZ-UHFFFAOYSA-N
XLogP0.91
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine?
The IUPAC name of 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine (CID 126558970) is 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine.
What is the SMILES notation for 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine?
The canonical SMILES for 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine is C=N/C(=N\C)NC1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine?
The InChIKey is ARACQUAZBAYDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-14-13(15-2)16-11-3-5-12(6-4-11)17-7-9-18-10-8-17/h11-12H,1,3-10H2,2H3,(H,15,16).
What are the key properties of 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine?
2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine has a molecular weight of 252.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-3-(4-morpholin-4-ylcyclohexyl)guanidine is sourced from PubChem (CID 126558970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).