4-cycloheptylmorpholine-2-carboximidamide

C12H23N3O — CID 82926175

IUPAC4-cycloheptylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C12H23N3O/c13-12(14)11-9-15(7-8-16-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H3,13,14)
InChIKeyRFSZSRSNENPJOO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds2

About 4-cycloheptylmorpholine-2-carboximidamide

4-cycloheptylmorpholine-2-carboximidamide (PubChem CID 82926175) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-cycloheptylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-cycloheptylmorpholine-2-carboximidamide
PubChem CID82926175
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-cycloheptylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C12H23N3O/c13-12(14)11-9-15(7-8-16-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H3,13,14)
InChIKeyRFSZSRSNENPJOO-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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-cycloheptylmorpholine-2-carboximidamide?
The IUPAC name of 4-cycloheptylmorpholine-2-carboximidamide (CID 82926175) is 4-cycloheptylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-cycloheptylmorpholine-2-carboximidamide?
The canonical SMILES for 4-cycloheptylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(C2CCCCCC2)CCO1.
What is the InChIKey of 4-cycloheptylmorpholine-2-carboximidamide?
The InChIKey is RFSZSRSNENPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(14)11-9-15(7-8-16-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H3,13,14).
What are the key properties of 4-cycloheptylmorpholine-2-carboximidamide?
4-cycloheptylmorpholine-2-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylmorpholine-2-carboximidamide is sourced from PubChem (CID 82926175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).