4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine

C20H35NO — CID 143189212

IUPAC4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine
SMILESC/C=C1\CCC(C)C(C2C[C@@H](C)CC[C@@H]2N2CCOCC2)C1
InChIInChI=1S/C20H35NO/c1-4-17-7-6-16(3)18(14-17)19-13-15(2)5-8-20(19)21-9-11-22-12-10-21/h4,15-16,18-20H,5-14H2,1-3H3/b17-4+/t15-,16?,18?,19?,20-/m0/s1
InChIKeyUFQMRWQRDIQQAI-IJEBCSFPSA-N
MW305.51 g/mol
LogP4.51
Rot. Bonds2

About 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine

4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine (PubChem CID 143189212) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine
PubChem CID143189212
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine
SMILESC/C=C1\CCC(C)C(C2C[C@@H](C)CC[C@@H]2N2CCOCC2)C1
InChIInChI=1S/C20H35NO/c1-4-17-7-6-16(3)18(14-17)19-13-15(2)5-8-20(19)21-9-11-22-12-10-21/h4,15-16,18-20H,5-14H2,1-3H3/b17-4+/t15-,16?,18?,19?,20-/m0/s1
InChIKeyUFQMRWQRDIQQAI-IJEBCSFPSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine?
The IUPAC name of 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine (CID 143189212) is 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine.
What is the SMILES notation for 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine?
The canonical SMILES for 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine is C/C=C1\CCC(C)C(C2C[C@@H](C)CC[C@@H]2N2CCOCC2)C1.
What is the InChIKey of 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine?
The InChIKey is UFQMRWQRDIQQAI-IJEBCSFPSA-N. The full InChI is InChI=1S/C20H35NO/c1-4-17-7-6-16(3)18(14-17)19-13-15(2)5-8-20(19)21-9-11-22-12-10-21/h4,15-16,18-20H,5-14H2,1-3H3/b17-4+/t15-,16?,18?,19?,20-/m0/s1.
What are the key properties of 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine?
4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine has a molecular weight of 305.51 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,4S)-2-[(5E)-5-ethylidene-2-methylcyclohexyl]-4-methylcyclohexyl]morpholine is sourced from PubChem (CID 143189212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).