N-[3-(2-ethylhexoxy)propyl]methanimine

C12H25NO — CID 123402994

IUPACN-[3-(2-ethylhexoxy)propyl]methanimine
SMILESC=NCCCOCC(CC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-8-12(5-2)11-14-10-7-9-13-3/h12H,3-11H2,1-2H3
InChIKeyANCATOCOUQGIFL-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.31
Rot. Bonds10

About N-[3-(2-ethylhexoxy)propyl]methanimine

N-[3-(2-ethylhexoxy)propyl]methanimine (PubChem CID 123402994) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)propyl]methanimine.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)propyl]methanimine
PubChem CID123402994
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[3-(2-ethylhexoxy)propyl]methanimine
SMILESC=NCCCOCC(CC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-8-12(5-2)11-14-10-7-9-13-3/h12H,3-11H2,1-2H3
InChIKeyANCATOCOUQGIFL-UHFFFAOYSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylhexoxy)propyl]methanimine?
The IUPAC name of N-[3-(2-ethylhexoxy)propyl]methanimine (CID 123402994) is N-[3-(2-ethylhexoxy)propyl]methanimine.
What is the SMILES notation for N-[3-(2-ethylhexoxy)propyl]methanimine?
The canonical SMILES for N-[3-(2-ethylhexoxy)propyl]methanimine is C=NCCCOCC(CC)CCCC.
What is the InChIKey of N-[3-(2-ethylhexoxy)propyl]methanimine?
The InChIKey is ANCATOCOUQGIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-8-12(5-2)11-14-10-7-9-13-3/h12H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-ethylhexoxy)propyl]methanimine?
N-[3-(2-ethylhexoxy)propyl]methanimine has a molecular weight of 199.34 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxy)propyl]methanimine is sourced from PubChem (CID 123402994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).