3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide

C12H25N3O — CID 61432088

IUPAC3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1CCCCO1
InChIInChI=1S/C12H25N3O/c1-3-10(8-12(13)14)15(2)9-11-6-4-5-7-16-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyPJBPHOBFWVVKNN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.59
Rot. Bonds6

About 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide

3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide (PubChem CID 61432088) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide
PubChem CID61432088
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1CCCCO1
InChIInChI=1S/C12H25N3O/c1-3-10(8-12(13)14)15(2)9-11-6-4-5-7-16-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyPJBPHOBFWVVKNN-UHFFFAOYSA-N
XLogP1.59
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.59
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 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide 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 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide?
The IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide (CID 61432088) is 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide?
The canonical SMILES for 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CC1CCCCO1.
What is the InChIKey of 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide?
The InChIKey is PJBPHOBFWVVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10(8-12(13)14)15(2)9-11-6-4-5-7-16-11/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide?
3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-2-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 61432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).