4-[4,4-di(propan-2-yl)cyclohexyl]morpholine

C16H31NO — CID 130233642

IUPAC4-[4,4-di(propan-2-yl)cyclohexyl]morpholine
SMILESCC(C)C1(C(C)C)CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)16(14(3)4)7-5-15(6-8-16)17-9-11-18-12-10-17/h13-15H,5-12H2,1-4H3
InChIKeyVCRCZXINBIILFH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.56
Rot. Bonds3

About 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine

4-[4,4-di(propan-2-yl)cyclohexyl]morpholine (PubChem CID 130233642) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4,4-di(propan-2-yl)cyclohexyl]morpholine
PubChem CID130233642
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[4,4-di(propan-2-yl)cyclohexyl]morpholine
SMILESCC(C)C1(C(C)C)CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-13(2)16(14(3)4)7-5-15(6-8-16)17-9-11-18-12-10-17/h13-15H,5-12H2,1-4H3
InChIKeyVCRCZXINBIILFH-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine?
The IUPAC name of 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine (CID 130233642) is 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine.
What is the SMILES notation for 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine?
The canonical SMILES for 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine is CC(C)C1(C(C)C)CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine?
The InChIKey is VCRCZXINBIILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)16(14(3)4)7-5-15(6-8-16)17-9-11-18-12-10-17/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine?
4-[4,4-di(propan-2-yl)cyclohexyl]morpholine has a molecular weight of 253.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-di(propan-2-yl)cyclohexyl]morpholine is sourced from PubChem (CID 130233642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).