4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine

C17H34N2O2 — CID 67972889

IUPAC4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine
SMILESCCCCN1CCOC(CC2CN(CCCC)CCO2)C1
InChIInChI=1S/C17H34N2O2/c1-3-5-7-18-9-11-20-16(14-18)13-17-15-19(8-6-4-2)10-12-21-17/h16-17H,3-15H2,1-2H3
InChIKeyJNHIAEFHEHIJHA-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.38
Rot. Bonds8

About 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine

4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine (PubChem CID 67972889) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine
PubChem CID67972889
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine
SMILESCCCCN1CCOC(CC2CN(CCCC)CCO2)C1
InChIInChI=1S/C17H34N2O2/c1-3-5-7-18-9-11-20-16(14-18)13-17-15-19(8-6-4-2)10-12-21-17/h16-17H,3-15H2,1-2H3
InChIKeyJNHIAEFHEHIJHA-UHFFFAOYSA-N
XLogP2.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine?
The IUPAC name of 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine (CID 67972889) is 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine?
The canonical SMILES for 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine is CCCCN1CCOC(CC2CN(CCCC)CCO2)C1.
What is the InChIKey of 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine?
The InChIKey is JNHIAEFHEHIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-5-7-18-9-11-20-16(14-18)13-17-15-19(8-6-4-2)10-12-21-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine?
4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine has a molecular weight of 298.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[(4-butylmorpholin-2-yl)methyl]morpholine is sourced from PubChem (CID 67972889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).