4-(3-methylcyclohexyl)morpholine-2-carboximidamide

C12H23N3O — CID 79675493

IUPAC4-(3-methylcyclohexyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C2CCCC(C)C2)CCO1
InChIInChI=1S/C12H23N3O/c1-9-3-2-4-10(7-9)15-5-6-16-11(8-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyYVSXXBVFVSLTKS-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.20
Rot. Bonds2

About 4-(3-methylcyclohexyl)morpholine-2-carboximidamide

4-(3-methylcyclohexyl)morpholine-2-carboximidamide (PubChem CID 79675493) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)morpholine-2-carboximidamide
PubChem CID79675493
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(3-methylcyclohexyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C2CCCC(C)C2)CCO1
InChIInChI=1S/C12H23N3O/c1-9-3-2-4-10(7-9)15-5-6-16-11(8-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyYVSXXBVFVSLTKS-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.20
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 4-(3-methylcyclohexyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(3-methylcyclohexyl)morpholine-2-carboximidamide (CID 79675493) is 4-(3-methylcyclohexyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(3-methylcyclohexyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(3-methylcyclohexyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(C2CCCC(C)C2)CCO1.
What is the InChIKey of 4-(3-methylcyclohexyl)morpholine-2-carboximidamide?
The InChIKey is YVSXXBVFVSLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-3-2-4-10(7-9)15-5-6-16-11(8-15)12(13)14/h9-11H,2-8H2,1H3,(H3,13,14).
What are the key properties of 4-(3-methylcyclohexyl)morpholine-2-carboximidamide?
4-(3-methylcyclohexyl)morpholine-2-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79675493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).