4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide

C9H19N3O2 — CID 79675492

IUPAC4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C(C)COC)CCO1
InChIInChI=1S/C9H19N3O2/c1-7(6-13-2)12-3-4-14-8(5-12)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyKJFKGCUVAVNJHP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.34
Rot. Bonds4

About 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide

4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide (PubChem CID 79675492) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide
PubChem CID79675492
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(C(C)COC)CCO1
InChIInChI=1S/C9H19N3O2/c1-7(6-13-2)12-3-4-14-8(5-12)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyKJFKGCUVAVNJHP-UHFFFAOYSA-N
XLogP-0.34
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-methoxypropan-2-yl)morpholine-2-carboximidamide?
The IUPAC name of 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide (CID 79675492) is 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(C(C)COC)CCO1.
What is the InChIKey of 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide?
The InChIKey is KJFKGCUVAVNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(6-13-2)12-3-4-14-8(5-12)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide?
4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79675492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).