methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate

C18H33NO2 — CID 145091319

IUPACmethanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate
SMILESCC(C)N=C1CCCCC1.CO.Cc1ccc(C)cc1.O
InChIInChI=1S/C9H17N.C8H10.CH4O.H2O/c1-8(2)10-9-6-4-3-5-7-9;1-7-3-5-8(2)6-4-7;1-2;/h8H,3-7H2,1-2H3;3-6H,1-2H3;2H,1H3;1H2
InChIKeyNAENESQTXYBUEH-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.89
Rot. Bonds1

About methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate

methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate (PubChem CID 145091319) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate.

Molecular Properties

Compound Namemethanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate
PubChem CID145091319
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namemethanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate
SMILESCC(C)N=C1CCCCC1.CO.Cc1ccc(C)cc1.O
InChIInChI=1S/C9H17N.C8H10.CH4O.H2O/c1-8(2)10-9-6-4-3-5-7-9;1-7-3-5-8(2)6-4-7;1-2;/h8H,3-7H2,1-2H3;3-6H,1-2H3;2H,1H3;1H2
InChIKeyNAENESQTXYBUEH-UHFFFAOYSA-N
XLogP3.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate?
The IUPAC name of methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate (CID 145091319) is methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate.
What is the SMILES notation for methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate?
The canonical SMILES for methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate is CC(C)N=C1CCCCC1.CO.Cc1ccc(C)cc1.O.
What is the InChIKey of methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate?
The InChIKey is NAENESQTXYBUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H10.CH4O.H2O/c1-8(2)10-9-6-4-3-5-7-9;1-7-3-5-8(2)6-4-7;1-2;/h8H,3-7H2,1-2H3;3-6H,1-2H3;2H,1H3;1H2.
What are the key properties of methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate?
methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate has a molecular weight of 295.47 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-propan-2-ylcyclohexanimine;1,4-xylene;hydrate is sourced from PubChem (CID 145091319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).