5-methyl-N,N,4-tripropyloctan-4-amine;morpholine

C22H48N2O — CID 70257425

IUPAC5-methyl-N,N,4-tripropyloctan-4-amine;morpholine
SMILESC1COCCN1.CCCC(C)C(CCC)(CCC)N(CCC)CCC
InChIInChI=1S/C18H39N.C4H9NO/c1-7-12-17(6)18(13-8-2,14-9-3)19(15-10-4)16-11-5;1-3-6-4-2-5-1/h17H,7-16H2,1-6H3;5H,1-4H2
InChIKeyQGAOQODSMCXCLI-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.49
Rot. Bonds12

About 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine

5-methyl-N,N,4-tripropyloctan-4-amine;morpholine (PubChem CID 70257425) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine.

Molecular Properties

Compound Name5-methyl-N,N,4-tripropyloctan-4-amine;morpholine
PubChem CID70257425
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name5-methyl-N,N,4-tripropyloctan-4-amine;morpholine
SMILESC1COCCN1.CCCC(C)C(CCC)(CCC)N(CCC)CCC
InChIInChI=1S/C18H39N.C4H9NO/c1-7-12-17(6)18(13-8-2,14-9-3)19(15-10-4)16-11-5;1-3-6-4-2-5-1/h17H,7-16H2,1-6H3;5H,1-4H2
InChIKeyQGAOQODSMCXCLI-UHFFFAOYSA-N
XLogP5.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine?
The IUPAC name of 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine (CID 70257425) is 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine.
What is the SMILES notation for 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine?
The canonical SMILES for 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine is C1COCCN1.CCCC(C)C(CCC)(CCC)N(CCC)CCC.
What is the InChIKey of 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine?
The InChIKey is QGAOQODSMCXCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C4H9NO/c1-7-12-17(6)18(13-8-2,14-9-3)19(15-10-4)16-11-5;1-3-6-4-2-5-1/h17H,7-16H2,1-6H3;5H,1-4H2.
What are the key properties of 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine?
5-methyl-N,N,4-tripropyloctan-4-amine;morpholine has a molecular weight of 356.64 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N,4-tripropyloctan-4-amine;morpholine is sourced from PubChem (CID 70257425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).