N-hexoxy-2,2,4,4-tetramethylpentan-3-imine

C15H31NO — CID 22970443

IUPACN-hexoxy-2,2,4,4-tetramethylpentan-3-imine
SMILESCCCCCCON=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-9-10-11-12-17-16-13(14(2,3)4)15(5,6)7/h8-12H2,1-7H3
InChIKeyIYKHYODPRJMKNS-UHFFFAOYSA-N
MW241.42 g/mol
LogP5.03
Rot. Bonds6

About N-hexoxy-2,2,4,4-tetramethylpentan-3-imine

N-hexoxy-2,2,4,4-tetramethylpentan-3-imine (PubChem CID 22970443) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-hexoxy-2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound NameN-hexoxy-2,2,4,4-tetramethylpentan-3-imine
PubChem CID22970443
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-hexoxy-2,2,4,4-tetramethylpentan-3-imine
SMILESCCCCCCON=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-9-10-11-12-17-16-13(14(2,3)4)15(5,6)7/h8-12H2,1-7H3
InChIKeyIYKHYODPRJMKNS-UHFFFAOYSA-N
XLogP5.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.42
LogP ≤ 55.03
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hexoxy-2,2,4,4-tetramethylpentan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexoxy-2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of N-hexoxy-2,2,4,4-tetramethylpentan-3-imine (CID 22970443) is N-hexoxy-2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for N-hexoxy-2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for N-hexoxy-2,2,4,4-tetramethylpentan-3-imine is CCCCCCON=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-hexoxy-2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is IYKHYODPRJMKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-9-10-11-12-17-16-13(14(2,3)4)15(5,6)7/h8-12H2,1-7H3.
What are the key properties of N-hexoxy-2,2,4,4-tetramethylpentan-3-imine?
N-hexoxy-2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 241.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexoxy-2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 22970443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).