(E)-N-butoxy-3-methylbutan-2-imine

C9H19NO — CID 88914489

IUPAC(E)-N-butoxy-3-methylbutan-2-imine
SMILESCCCCO/N=C(\C)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-11-10-9(4)8(2)3/h8H,5-7H2,1-4H3/b10-9+
InChIKeyXGDAWUFBRNBPGX-MDZDMXLPSA-N
MW157.26 g/mol
LogP2.84
Rot. Bonds5

About (E)-N-butoxy-3-methylbutan-2-imine

(E)-N-butoxy-3-methylbutan-2-imine (PubChem CID 88914489) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-N-butoxy-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-butoxy-3-methylbutan-2-imine
PubChem CID88914489
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-N-butoxy-3-methylbutan-2-imine
SMILESCCCCO/N=C(\C)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-11-10-9(4)8(2)3/h8H,5-7H2,1-4H3/b10-9+
InChIKeyXGDAWUFBRNBPGX-MDZDMXLPSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.84
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'}

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Related Compounds

3,4-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12959091
(E)-N-hexoxy-3-methylbutan-2-imine
CID 21300316
(E)-N-ethoxy-3-methylbutan-2-imine
CID 21336352
(Z)-N-butan-2-yloxy-3-methylbutan-2-imine
CID 22087382
N-butoxybutan-2-imine
CID 53666341
N-(2-methylpropoxy)butan-2-imine
CID 53815017
(E)-3-methyl-N-propan-2-yloxybutan-2-imine
CID 58035427
N-(2-methylpropoxy)cyclopentanimine
CID 58363214
(E)-3-methyl-N-(4-methylpentoxy)butan-2-imine
CID 58371706
(Z)-2-methyl-N-pentoxyhex-4-yn-3-imine
CID 58479371
N-ethoxy-4-methylpentan-2-imine
CID 58970605
N-(3,3-dimethylbutoxy)propan-2-imine
CID 59192988

Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxy-3-methylbutan-2-imine?
The IUPAC name of (E)-N-butoxy-3-methylbutan-2-imine (CID 88914489) is (E)-N-butoxy-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-butoxy-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-butoxy-3-methylbutan-2-imine is CCCCO/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-butoxy-3-methylbutan-2-imine?
The InChIKey is XGDAWUFBRNBPGX-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-11-10-9(4)8(2)3/h8H,5-7H2,1-4H3/b10-9+.
What are the key properties of (E)-N-butoxy-3-methylbutan-2-imine?
(E)-N-butoxy-3-methylbutan-2-imine has a molecular weight of 157.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butoxy-3-methylbutan-2-imine is sourced from PubChem (CID 88914489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).