2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide

C9H19N3O — CID 63713098

IUPAC2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1CCOCC1
InChIInChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyORWDYDVENNCSCS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.28
Rot. Bonds4

About 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide

2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide (PubChem CID 63713098) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide
PubChem CID63713098
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1CCOCC1
InChIInChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyORWDYDVENNCSCS-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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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Related Compounds

CID 113808158
CID 113808158
CID 62384590
CID 62384590
CID 62384591
CID 62384591
CID 62384592
CID 62384592
CID 62384593
CID 62384593
CID 62384779
CID 62384779
CID 62387328
CID 62387328
CID 63224518
CID 63224518
CID 63285990
CID 63285990
CID 63707797
CID 63707797
CID 63707798
CID 63707798
CID 63707936
CID 63707936

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide (CID 63713098) is 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CC1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide?
The InChIKey is ORWDYDVENNCSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(7-9(10)11)6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide?
2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-ylmethyl)amino]ethanimidamide is sourced from PubChem (CID 63713098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).