N-propan-2-yldec-9-en-1-imine oxide

C13H25NO — CID 166527604

IUPACN-propan-2-yldec-9-en-1-imine oxide
SMILESC=CCCCCCCCC=[N+]([O-])C(C)C
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12-14(15)13(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyDLNJFCFHCNHKOG-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.89
Rot. Bonds9

About N-propan-2-yldec-9-en-1-imine oxide

N-propan-2-yldec-9-en-1-imine oxide (PubChem CID 166527604) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-propan-2-yldec-9-en-1-imine oxide.

Molecular Properties

Compound NameN-propan-2-yldec-9-en-1-imine oxide
PubChem CID166527604
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-propan-2-yldec-9-en-1-imine oxide
SMILESC=CCCCCCCCC=[N+]([O-])C(C)C
InChIInChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12-14(15)13(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyDLNJFCFHCNHKOG-UHFFFAOYSA-N
XLogP3.89
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-propan-2-yldec-9-en-1-imine oxide 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-propan-2-yldec-9-en-1-imine oxide?
The IUPAC name of N-propan-2-yldec-9-en-1-imine oxide (CID 166527604) is N-propan-2-yldec-9-en-1-imine oxide.
What is the SMILES notation for N-propan-2-yldec-9-en-1-imine oxide?
The canonical SMILES for N-propan-2-yldec-9-en-1-imine oxide is C=CCCCCCCCC=[N+]([O-])C(C)C.
What is the InChIKey of N-propan-2-yldec-9-en-1-imine oxide?
The InChIKey is DLNJFCFHCNHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-7-8-9-10-11-12-14(15)13(2)3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of N-propan-2-yldec-9-en-1-imine oxide?
N-propan-2-yldec-9-en-1-imine oxide has a molecular weight of 211.35 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yldec-9-en-1-imine oxide is sourced from PubChem (CID 166527604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).