(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine

C14H21NO — CID 88538917

IUPAC(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine
SMILESC/C(=N\OCc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11-6-8-13(9-7-11)10-16-15-12(2)14(3,4)5/h6-9H,10H2,1-5H3/b15-12+
InChIKeyOPCNEFMXQPQQDJ-NTCAYCPXSA-N
MW219.33 g/mol
LogP3.93
Rot. Bonds3

About (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine

(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine (PubChem CID 88538917) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine.

Molecular Properties

Compound Name(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine
PubChem CID88538917
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine
SMILESC/C(=N\OCc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11-6-8-13(9-7-11)10-16-15-12(2)14(3,4)5/h6-9H,10H2,1-5H3/b15-12+
InChIKeyOPCNEFMXQPQQDJ-NTCAYCPXSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine?
The IUPAC name of (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine (CID 88538917) is (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine.
What is the SMILES notation for (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine?
The canonical SMILES for (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine is C/C(=N\OCc1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine?
The InChIKey is OPCNEFMXQPQQDJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-8-13(9-7-11)10-16-15-12(2)14(3,4)5/h6-9H,10H2,1-5H3/b15-12+.
What are the key properties of (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine?
(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine has a molecular weight of 219.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine is sourced from PubChem (CID 88538917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).