(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine

C11H21NO — CID 178166520

IUPAC(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
SMILESCCC/C=C(\C)O/N=C(\C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-10(4)13-12-11(5)9(2)3/h8-9H,6-7H2,1-5H3/b10-8+,12-11+
InChIKeyDMXWFPPCOQDMOB-REVVXPLQSA-N
MW183.29 g/mol
LogP3.74
Rot. Bonds5

About (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine

(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine (PubChem CID 178166520) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
PubChem CID178166520
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
SMILESCCC/C=C(\C)O/N=C(\C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-10(4)13-12-11(5)9(2)3/h8-9H,6-7H2,1-5H3/b10-8+,12-11+
InChIKeyDMXWFPPCOQDMOB-REVVXPLQSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-Dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
CID 91564422
3,4,6-trimethyl-4H-oxazine
CID 123445894
(E,5E,9E)-5,9,12-trimethyl-N-[(2-methylpropan-2-yl)oxy]trideca-5,9-dien-2-imine
CID 138650640
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
3,6-dimethyl-4H-oxazine
CID 142993482
6-methyl-3-(2-methylpropyl)-4H-oxazine
CID 143219950
3,6-dimethyl-4H-oxazine;ethane
CID 143399688
3-Tert-butyl-7-ethyl-4,5-dihydrooxazepine
CID 144399229
6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine
CID 146581273
3,4-Dimethyl-7-propyl-4,5-dihydrooxazepine
CID 166706334
6-tert-butyl-3-methyl-4H-oxazine
CID 143053398

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine?
The IUPAC name of (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine (CID 178166520) is (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine is CCC/C=C(\C)O/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine?
The InChIKey is DMXWFPPCOQDMOB-REVVXPLQSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-8-10(4)13-12-11(5)9(2)3/h8-9H,6-7H2,1-5H3/b10-8+,12-11+.
What are the key properties of (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine?
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine has a molecular weight of 183.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine is sourced from PubChem (CID 178166520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).