(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine

C12H23NO — CID 135085821

IUPAC(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine
SMILESCO/N=C1\CCC(C(C)(C)C)CC1C
InChIInChI=1S/C12H23NO/c1-9-8-10(12(2,3)4)6-7-11(9)13-14-5/h9-10H,6-8H2,1-5H3/b13-11+
InChIKeyYPCPXRLCNKJHQJ-ACCUITESSA-N
MW197.32 g/mol
LogP3.47
Rot. Bonds1

About (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine

(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine (PubChem CID 135085821) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine.

Molecular Properties

Compound Name(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine
PubChem CID135085821
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine
SMILESCO/N=C1\CCC(C(C)(C)C)CC1C
InChIInChI=1S/C12H23NO/c1-9-8-10(12(2,3)4)6-7-11(9)13-14-5/h9-10H,6-8H2,1-5H3/b13-11+
InChIKeyYPCPXRLCNKJHQJ-ACCUITESSA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.47
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)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine?
The IUPAC name of (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine (CID 135085821) is (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine.
What is the SMILES notation for (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine?
The canonical SMILES for (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine is CO/N=C1\CCC(C(C)(C)C)CC1C.
What is the InChIKey of (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine?
The InChIKey is YPCPXRLCNKJHQJ-ACCUITESSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-8-10(12(2,3)4)6-7-11(9)13-14-5/h9-10H,6-8H2,1-5H3/b13-11+.
What are the key properties of (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine?
(E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine has a molecular weight of 197.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tert-butyl-N-methoxy-2-methylcyclohexan-1-imine is sourced from PubChem (CID 135085821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).