ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine

C15H31NO — CID 176919633

IUPACethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine
SMILESCC.CC[C@@H]1CN(CC2(CC)CC2)[C@H](C)CO1
InChIInChI=1S/C13H25NO.C2H6/c1-4-12-8-14(11(3)9-15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m1./s1
InChIKeyYNBDOHJTNDYYOP-MNMPKAIFSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds4

About ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine

ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine (PubChem CID 176919633) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine.

Molecular Properties

Compound Nameethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine
PubChem CID176919633
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine
SMILESCC.CC[C@@H]1CN(CC2(CC)CC2)[C@H](C)CO1
InChIInChI=1S/C13H25NO.C2H6/c1-4-12-8-14(11(3)9-15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m1./s1
InChIKeyYNBDOHJTNDYYOP-MNMPKAIFSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine?
The IUPAC name of ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine (CID 176919633) is ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine.
What is the SMILES notation for ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine?
The canonical SMILES for ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine is CC.CC[C@@H]1CN(CC2(CC)CC2)[C@H](C)CO1.
What is the InChIKey of ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine?
The InChIKey is YNBDOHJTNDYYOP-MNMPKAIFSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-4-12-8-14(11(3)9-15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m1./s1.
What are the key properties of ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine?
ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine is sourced from PubChem (CID 176919633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).