3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide

C12H25N3O2 — CID 63285990

IUPAC3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-16-9-6-15(5-2-12(13)14)10-11-3-7-17-8-4-11/h11H,2-10H2,1H3,(H3,13,14)
InChIKeyDKALQRGZGOKVMK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.69
Rot. Bonds8

About 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide

3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide (PubChem CID 63285990) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
PubChem CID63285990
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-16-9-6-15(5-2-12(13)14)10-11-3-7-17-8-4-11/h11H,2-10H2,1H3,(H3,13,14)
InChIKeyDKALQRGZGOKVMK-UHFFFAOYSA-N
XLogP0.69
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.69
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 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide (CID 63285990) is 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CC1CCOCC1.
What is the InChIKey of 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide?
The InChIKey is DKALQRGZGOKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-16-9-6-15(5-2-12(13)14)10-11-3-7-17-8-4-11/h11H,2-10H2,1H3,(H3,13,14).
What are the key properties of 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide?
3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide has a molecular weight of 243.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 63285990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).