(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine

C15H30N2O2 — CID 139318496

IUPAC(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine
SMILESC/C(=N\OC(C)C)C(C)CCC(C)O/N=C/C(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)10-16-19-14(6)9-8-13(5)15(7)17-18-12(3)4/h10-14H,8-9H2,1-7H3/b16-10+,17-15+
InChIKeyWHKVQRMLIGXWHI-AMRBXKIKSA-N
MW270.42 g/mol
LogP4.25
Rot. Bonds9

About (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine

(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine (PubChem CID 139318496) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine
PubChem CID139318496
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine
SMILESC/C(=N\OC(C)C)C(C)CCC(C)O/N=C/C(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)10-16-19-14(6)9-8-13(5)15(7)17-18-12(3)4/h10-14H,8-9H2,1-7H3/b16-10+,17-15+
InChIKeyWHKVQRMLIGXWHI-AMRBXKIKSA-N
XLogP4.25
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine?
The IUPAC name of (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine (CID 139318496) is (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine.
What is the SMILES notation for (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine?
The canonical SMILES for (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine is C/C(=N\OC(C)C)C(C)CCC(C)O/N=C/C(C)C.
What is the InChIKey of (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine?
The InChIKey is WHKVQRMLIGXWHI-AMRBXKIKSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)10-16-19-14(6)9-8-13(5)15(7)17-18-12(3)4/h10-14H,8-9H2,1-7H3/b16-10+,17-15+.
What are the key properties of (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine?
(E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine has a molecular weight of 270.42 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-6-[(E)-2-methylpropylideneamino]oxy-N-propan-2-yloxyheptan-2-imine is sourced from PubChem (CID 139318496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).