ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine

C18H33NO — CID 163257075

IUPACethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCC.CC.CCC1CN(C2=CCC=C(C)C=C2)CCO1
InChIInChI=1S/C14H21NO.2C2H6/c1-3-14-11-15(9-10-16-14)13-6-4-5-12(2)7-8-13;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3
InChIKeyASZTXPXBGQVXPN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.94
Rot. Bonds2

About ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine

ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine (PubChem CID 163257075) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine.

Molecular Properties

Compound Nameethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine
PubChem CID163257075
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCC.CC.CCC1CN(C2=CCC=C(C)C=C2)CCO1
InChIInChI=1S/C14H21NO.2C2H6/c1-3-14-11-15(9-10-16-14)13-6-4-5-12(2)7-8-13;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3
InChIKeyASZTXPXBGQVXPN-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The IUPAC name of ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine (CID 163257075) is ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine.
What is the SMILES notation for ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The canonical SMILES for ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine is CC.CC.CCC1CN(C2=CCC=C(C)C=C2)CCO1.
What is the InChIKey of ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The InChIKey is ASZTXPXBGQVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.2C2H6/c1-3-14-11-15(9-10-16-14)13-6-4-5-12(2)7-8-13;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine has a molecular weight of 279.47 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-(5-methylcyclohepta-1,4,6-trien-1-yl)morpholine is sourced from PubChem (CID 163257075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).