(E)-N-propan-2-yloxycyclohex-2-en-1-imine

C9H15NO — CID 59497723

IUPAC(E)-N-propan-2-yloxycyclohex-2-en-1-imine
SMILESCC(C)O/N=C1/C=CCCC1
InChIInChI=1S/C9H15NO/c1-8(2)11-10-9-6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9-
InChIKeyUJPFUDIUADIOFG-KTKRTIGZSA-N
MW153.22 g/mol
LogP2.51
Rot. Bonds2

About (E)-N-propan-2-yloxycyclohex-2-en-1-imine

(E)-N-propan-2-yloxycyclohex-2-en-1-imine (PubChem CID 59497723) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-propan-2-yloxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-propan-2-yloxycyclohex-2-en-1-imine
PubChem CID59497723
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-propan-2-yloxycyclohex-2-en-1-imine
SMILESCC(C)O/N=C1/C=CCCC1
InChIInChI=1S/C9H15NO/c1-8(2)11-10-9-6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9-
InChIKeyUJPFUDIUADIOFG-KTKRTIGZSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.51
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)-N-propan-2-yloxycyclohex-2-en-1-imine?
The IUPAC name of (E)-N-propan-2-yloxycyclohex-2-en-1-imine (CID 59497723) is (E)-N-propan-2-yloxycyclohex-2-en-1-imine.
What is the SMILES notation for (E)-N-propan-2-yloxycyclohex-2-en-1-imine?
The canonical SMILES for (E)-N-propan-2-yloxycyclohex-2-en-1-imine is CC(C)O/N=C1/C=CCCC1.
What is the InChIKey of (E)-N-propan-2-yloxycyclohex-2-en-1-imine?
The InChIKey is UJPFUDIUADIOFG-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)11-10-9-6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9-.
What are the key properties of (E)-N-propan-2-yloxycyclohex-2-en-1-imine?
(E)-N-propan-2-yloxycyclohex-2-en-1-imine has a molecular weight of 153.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yloxycyclohex-2-en-1-imine is sourced from PubChem (CID 59497723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).