5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine

C16H24N4O — CID 121215520

IUPAC5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine
SMILESCc1cc(/N=C2/C=C(N3CCOCC3)CC(C)(C)C2)n[nH]1
InChIInChI=1S/C16H24N4O/c1-12-8-15(19-18-12)17-13-9-14(11-16(2,3)10-13)20-4-6-21-7-5-20/h8-9H,4-7,10-11H2,1-3H3,(H,18,19)/b17-13-
InChIKeyMSIBRJKIIJJJIC-LGMDPLHJSA-N
MW288.39 g/mol
LogP2.83
Rot. Bonds2

About 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine

5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine (PubChem CID 121215520) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine
PubChem CID121215520
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine
SMILESCc1cc(/N=C2/C=C(N3CCOCC3)CC(C)(C)C2)n[nH]1
InChIInChI=1S/C16H24N4O/c1-12-8-15(19-18-12)17-13-9-14(11-16(2,3)10-13)20-4-6-21-7-5-20/h8-9H,4-7,10-11H2,1-3H3,(H,18,19)/b17-13-
InChIKeyMSIBRJKIIJJJIC-LGMDPLHJSA-N
XLogP2.83
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine?
The IUPAC name of 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine (CID 121215520) is 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine.
What is the SMILES notation for 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine?
The canonical SMILES for 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine is Cc1cc(/N=C2/C=C(N3CCOCC3)CC(C)(C)C2)n[nH]1.
What is the InChIKey of 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine?
The InChIKey is MSIBRJKIIJJJIC-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-8-15(19-18-12)17-13-9-14(11-16(2,3)10-13)20-4-6-21-7-5-20/h8-9H,4-7,10-11H2,1-3H3,(H,18,19)/b17-13-.
What are the key properties of 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine?
5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine has a molecular weight of 288.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 121215520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).