N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine

C14H20N2O — CID 145199569

IUPACN-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine
SMILES[H]/N=C/c1cc(CC)ccc1NC1CCCCO1
InChIInChI=1S/C14H20N2O/c1-2-11-6-7-13(12(9-11)10-15)16-14-5-3-4-8-17-14/h6-7,9-10,14-16H,2-5,8H2,1H3/b15-10+
InChIKeyHRTAMUXJGWVJMR-XNTDXEJSSA-N
MW232.33 g/mol
LogP3.19
Rot. Bonds4

About N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine

N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine (PubChem CID 145199569) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine.

Molecular Properties

Compound NameN-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine
PubChem CID145199569
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine
SMILES[H]/N=C/c1cc(CC)ccc1NC1CCCCO1
InChIInChI=1S/C14H20N2O/c1-2-11-6-7-13(12(9-11)10-15)16-14-5-3-4-8-17-14/h6-7,9-10,14-16H,2-5,8H2,1H3/b15-10+
InChIKeyHRTAMUXJGWVJMR-XNTDXEJSSA-N
XLogP3.19
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine?
The IUPAC name of N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine (CID 145199569) is N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine.
What is the SMILES notation for N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine?
The canonical SMILES for N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine is [H]/N=C/c1cc(CC)ccc1NC1CCCCO1.
What is the InChIKey of N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine?
The InChIKey is HRTAMUXJGWVJMR-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-6-7-13(12(9-11)10-15)16-14-5-3-4-8-17-14/h6-7,9-10,14-16H,2-5,8H2,1H3/b15-10+.
What are the key properties of N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine?
N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-methanimidoylphenyl)oxan-2-amine is sourced from PubChem (CID 145199569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).