4-[5-(4-methylcyclohexyl)pentyl]morpholine

C16H31NO — CID 59545504

IUPAC4-[5-(4-methylcyclohexyl)pentyl]morpholine
SMILESCC1CCC(CCCCCN2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-15-6-8-16(9-7-15)5-3-2-4-10-17-11-13-18-14-12-17/h15-16H,2-14H2,1H3
InChIKeyOSXROLJWOJSZQE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.71
Rot. Bonds6

About 4-[5-(4-methylcyclohexyl)pentyl]morpholine

4-[5-(4-methylcyclohexyl)pentyl]morpholine (PubChem CID 59545504) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[5-(4-methylcyclohexyl)pentyl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylcyclohexyl)pentyl]morpholine
PubChem CID59545504
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[5-(4-methylcyclohexyl)pentyl]morpholine
SMILESCC1CCC(CCCCCN2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-15-6-8-16(9-7-15)5-3-2-4-10-17-11-13-18-14-12-17/h15-16H,2-14H2,1H3
InChIKeyOSXROLJWOJSZQE-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclohexylmethyl)morpholine
CID 641545
4-(4-Tert-butylcyclohexyl)morpholine
CID 742685
4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(2-Methyloctyl)morpholine
CID 15317280
4-(4-Ethylcyclohexyl)morpholine
CID 756963
4-(1,5,9-Trimethyldecyl)-2,6-dimethyl morpholine
CID 85957220
4-(Cycloheptylmethyl)-2,6-dimethylmorpholine
CID 75430683
4-(2-Ethylhexyl)morpholine
CID 250521
4-[(2R)-2-fluoro-5-(2-methylpropyl)cyclohexyl]morpholine
CID 143588789
4-(Cyclohexylmethyl)-3-fluoromorpholine
CID 164916105
4-[Cyclohexyl(fluoro)methyl]morpholine
CID 175482474
4-(4-Ethylcyclohexyl)-2,6-dimethylmorpholine
CID 2845392

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylcyclohexyl)pentyl]morpholine?
The IUPAC name of 4-[5-(4-methylcyclohexyl)pentyl]morpholine (CID 59545504) is 4-[5-(4-methylcyclohexyl)pentyl]morpholine.
What is the SMILES notation for 4-[5-(4-methylcyclohexyl)pentyl]morpholine?
The canonical SMILES for 4-[5-(4-methylcyclohexyl)pentyl]morpholine is CC1CCC(CCCCCN2CCOCC2)CC1.
What is the InChIKey of 4-[5-(4-methylcyclohexyl)pentyl]morpholine?
The InChIKey is OSXROLJWOJSZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15-6-8-16(9-7-15)5-3-2-4-10-17-11-13-18-14-12-17/h15-16H,2-14H2,1H3.
What are the key properties of 4-[5-(4-methylcyclohexyl)pentyl]morpholine?
4-[5-(4-methylcyclohexyl)pentyl]morpholine has a molecular weight of 253.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylcyclohexyl)pentyl]morpholine is sourced from PubChem (CID 59545504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).