2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide

C14H27NO — CID 166529726

IUPAC2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide
SMILESCC(C)=CCC(C)CC(C)C=[N+]([O-])C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)7-8-13(5)9-14(6)10-15(16)12(3)4/h7,10,12-14H,8-9H2,1-6H3
InChIKeySPYIVECYSKPKHN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.99
Rot. Bonds6

About 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide

2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide (PubChem CID 166529726) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide.

Molecular Properties

Compound Name2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide
PubChem CID166529726
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide
SMILESCC(C)=CCC(C)CC(C)C=[N+]([O-])C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)7-8-13(5)9-14(6)10-15(16)12(3)4/h7,10,12-14H,8-9H2,1-6H3
InChIKeySPYIVECYSKPKHN-UHFFFAOYSA-N
XLogP3.99
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide?
The IUPAC name of 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide (CID 166529726) is 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide.
What is the SMILES notation for 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide?
The canonical SMILES for 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide is CC(C)=CCC(C)CC(C)C=[N+]([O-])C(C)C.
What is the InChIKey of 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide?
The InChIKey is SPYIVECYSKPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)7-8-13(5)9-14(6)10-15(16)12(3)4/h7,10,12-14H,8-9H2,1-6H3.
What are the key properties of 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide?
2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide has a molecular weight of 225.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide is sourced from PubChem (CID 166529726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).