2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide

C9H19N3O — CID 61431941

IUPAC2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1CCCCO1
InChIInChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-4-2-3-5-13-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyHHZKAYXTVURLOX-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide

2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide (PubChem CID 61431941) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide
PubChem CID61431941
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1CCCCO1
InChIInChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-4-2-3-5-13-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyHHZKAYXTVURLOX-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
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 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide (CID 61431941) is 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CC1CCCCO1.
What is the InChIKey of 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide?
The InChIKey is HHZKAYXTVURLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-4-2-3-5-13-8/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide?
2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-2-ylmethyl)amino]ethanimidamide is sourced from PubChem (CID 61431941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).