(E)-2-tert-butyl-N-methoxycyclohexan-1-imine

C11H21NO — CID 15349452

IUPAC(E)-2-tert-butyl-N-methoxycyclohexan-1-imine
SMILESCO/N=C1\CCCCC1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)9-7-5-6-8-10(9)12-13-4/h9H,5-8H2,1-4H3/b12-10+
InChIKeyBZMOVABZQJFXKN-ZRDIBKRKSA-N
MW183.29 g/mol
LogP3.23
Rot. Bonds1

About (E)-2-tert-butyl-N-methoxycyclohexan-1-imine

(E)-2-tert-butyl-N-methoxycyclohexan-1-imine (PubChem CID 15349452) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-2-tert-butyl-N-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name(E)-2-tert-butyl-N-methoxycyclohexan-1-imine
PubChem CID15349452
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-2-tert-butyl-N-methoxycyclohexan-1-imine
SMILESCO/N=C1\CCCCC1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)9-7-5-6-8-10(9)12-13-4/h9H,5-8H2,1-4H3/b12-10+
InChIKeyBZMOVABZQJFXKN-ZRDIBKRKSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.23
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)-2-tert-butyl-N-methoxycyclohexan-1-imine?
The IUPAC name of (E)-2-tert-butyl-N-methoxycyclohexan-1-imine (CID 15349452) is (E)-2-tert-butyl-N-methoxycyclohexan-1-imine.
What is the SMILES notation for (E)-2-tert-butyl-N-methoxycyclohexan-1-imine?
The canonical SMILES for (E)-2-tert-butyl-N-methoxycyclohexan-1-imine is CO/N=C1\CCCCC1C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-N-methoxycyclohexan-1-imine?
The InChIKey is BZMOVABZQJFXKN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)9-7-5-6-8-10(9)12-13-4/h9H,5-8H2,1-4H3/b12-10+.
What are the key properties of (E)-2-tert-butyl-N-methoxycyclohexan-1-imine?
(E)-2-tert-butyl-N-methoxycyclohexan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-N-methoxycyclohexan-1-imine is sourced from PubChem (CID 15349452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).