4-[methyl(oxan-4-ylmethyl)amino]butanimidamide

C11H23N3O — CID 63712928

IUPAC4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O/c1-14(6-2-3-11(12)13)9-10-4-7-15-8-5-10/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyHXEPABSNAAIXBV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.06
Rot. Bonds6

About 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide

4-[methyl(oxan-4-ylmethyl)amino]butanimidamide (PubChem CID 63712928) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
PubChem CID63712928
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O/c1-14(6-2-3-11(12)13)9-10-4-7-15-8-5-10/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyHXEPABSNAAIXBV-UHFFFAOYSA-N
XLogP1.06
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.06
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'}

Analyze 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The IUPAC name of 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide (CID 63712928) is 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CC1CCOCC1.
What is the InChIKey of 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The InChIKey is HXEPABSNAAIXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(6-2-3-11(12)13)9-10-4-7-15-8-5-10/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
4-[methyl(oxan-4-ylmethyl)amino]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 63712928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).