N-methyl-N-(oxan-4-ylmethyl)ethanimidamide

C9H18N2O — CID 63707938

IUPACN-methyl-N-(oxan-4-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC1CCOCC1
InChIInChI=1S/C9H18N2O/c1-8(10)11(2)7-9-3-5-12-6-4-9/h9-10H,3-7H2,1-2H3/b10-8+
InChIKeyQMRZOCDYVDJKEW-CSKARUKUSA-N
MW170.26 g/mol
LogP1.34
Rot. Bonds2

About N-methyl-N-(oxan-4-ylmethyl)ethanimidamide

N-methyl-N-(oxan-4-ylmethyl)ethanimidamide (PubChem CID 63707938) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)ethanimidamide
PubChem CID63707938
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC1CCOCC1
InChIInChI=1S/C9H18N2O/c1-8(10)11(2)7-9-3-5-12-6-4-9/h9-10H,3-7H2,1-2H3/b10-8+
InChIKeyQMRZOCDYVDJKEW-CSKARUKUSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-N-(oxan-4-ylmethyl)ethanimidamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)ethanimidamide (CID 63707938) is N-methyl-N-(oxan-4-ylmethyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)ethanimidamide is [H]/N=C(\C)N(C)CC1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)ethanimidamide?
The InChIKey is QMRZOCDYVDJKEW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10)11(2)7-9-3-5-12-6-4-9/h9-10H,3-7H2,1-2H3/b10-8+.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)ethanimidamide?
N-methyl-N-(oxan-4-ylmethyl)ethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)ethanimidamide is sourced from PubChem (CID 63707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).