1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde

C19H29NO2 — CID 143736832

IUPAC1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
SMILESCc1ccc(C2CCC(C)CC2)cc1.O=CN1CCOCC1
InChIInChI=1S/C14H20.C5H9NO2/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;7-5-6-1-3-8-4-2-6/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3;5H,1-4H2
InChIKeyHQZWAWGLBJCDGJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.76
Rot. Bonds2

About 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde

1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde (PubChem CID 143736832) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
PubChem CID143736832
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
SMILESCc1ccc(C2CCC(C)CC2)cc1.O=CN1CCOCC1
InChIInChI=1S/C14H20.C5H9NO2/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;7-5-6-1-3-8-4-2-6/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3;5H,1-4H2
InChIKeyHQZWAWGLBJCDGJ-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde?
The IUPAC name of 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde (CID 143736832) is 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde is Cc1ccc(C2CCC(C)CC2)cc1.O=CN1CCOCC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde?
The InChIKey is HQZWAWGLBJCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C5H9NO2/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;7-5-6-1-3-8-4-2-6/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3;5H,1-4H2.
What are the key properties of 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde?
1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde has a molecular weight of 303.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde is sourced from PubChem (CID 143736832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).