2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine

C10H18ClNO — CID 54351218

IUPAC2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine
SMILESCC(C)(C)ON=C1CCCCC1Cl
InChIInChI=1S/C10H18ClNO/c1-10(2,3)13-12-9-7-5-4-6-8(9)11/h8H,4-7H2,1-3H3
InChIKeyUFXHGXWCIWODSZ-UHFFFAOYSA-N
MW203.71 g/mol
LogP3.34
Rot. Bonds1

About 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine

2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine (PubChem CID 54351218) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine.

Molecular Properties

Compound Name2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine
PubChem CID54351218
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine
SMILESCC(C)(C)ON=C1CCCCC1Cl
InChIInChI=1S/C10H18ClNO/c1-10(2,3)13-12-9-7-5-4-6-8(9)11/h8H,4-7H2,1-3H3
InChIKeyUFXHGXWCIWODSZ-UHFFFAOYSA-N
XLogP3.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine?
The IUPAC name of 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine (CID 54351218) is 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine.
What is the SMILES notation for 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine?
The canonical SMILES for 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine is CC(C)(C)ON=C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine?
The InChIKey is UFXHGXWCIWODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-10(2,3)13-12-9-7-5-4-6-8(9)11/h8H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine?
2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine has a molecular weight of 203.71 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylpropan-2-yl)oxy]cyclohexan-1-imine is sourced from PubChem (CID 54351218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).