N-(2-methoxyethyl)hexan-3-imine

C9H19NO — CID 165392120

IUPACN-(2-methoxyethyl)hexan-3-imine
SMILESCCC/C(CC)=N/CCOC
InChIInChI=1S/C9H19NO/c1-4-6-9(5-2)10-7-8-11-3/h4-8H2,1-3H3/b10-9+
InChIKeyDIFGBGLAMSAPQG-MDZDMXLPSA-N
MW157.26 g/mol
LogP2.28
Rot. Bonds6

About N-(2-methoxyethyl)hexan-3-imine

N-(2-methoxyethyl)hexan-3-imine (PubChem CID 165392120) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)hexan-3-imine.

Molecular Properties

Compound NameN-(2-methoxyethyl)hexan-3-imine
PubChem CID165392120
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methoxyethyl)hexan-3-imine
SMILESCCC/C(CC)=N/CCOC
InChIInChI=1S/C9H19NO/c1-4-6-9(5-2)10-7-8-11-3/h4-8H2,1-3H3/b10-9+
InChIKeyDIFGBGLAMSAPQG-MDZDMXLPSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.28
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-(2-methoxyethyl)hexan-3-imine?
The IUPAC name of N-(2-methoxyethyl)hexan-3-imine (CID 165392120) is N-(2-methoxyethyl)hexan-3-imine.
What is the SMILES notation for N-(2-methoxyethyl)hexan-3-imine?
The canonical SMILES for N-(2-methoxyethyl)hexan-3-imine is CCC/C(CC)=N/CCOC.
What is the InChIKey of N-(2-methoxyethyl)hexan-3-imine?
The InChIKey is DIFGBGLAMSAPQG-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-9(5-2)10-7-8-11-3/h4-8H2,1-3H3/b10-9+.
What are the key properties of N-(2-methoxyethyl)hexan-3-imine?
N-(2-methoxyethyl)hexan-3-imine has a molecular weight of 157.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)hexan-3-imine is sourced from PubChem (CID 165392120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).