azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine

C24H60N6O — CID 67158808

IUPACazane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
SMILESCCC1CNCCO1.CCCN1CCC(C)CC1.CCCN1CCCCC1C.N.N.N
InChIInChI=1S/2C9H19N.C6H13NO.3H3N/c1-3-6-10-7-4-9(2)5-8-10;1-3-7-10-8-5-4-6-9(10)2;1-2-6-5-7-3-4-8-6;;;/h2*9H,3-8H2,1-2H3;6-7H,2-5H2,1H3;3*1H3
InChIKeyYORVQDLFVSLMSL-UHFFFAOYSA-N
MW448.79 g/mol
LogP5.27
Rot. Bonds5

About azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine

azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine (PubChem CID 67158808) has the molecular formula C24H60N6O and a molecular weight of 448.79 g/mol. Its IUPAC name is azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine.

Molecular Properties

Compound Nameazane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
PubChem CID67158808
Molecular FormulaC24H60N6O
Molecular Weight448.79 g/mol
Exact Mass448.48
IUPAC Nameazane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
SMILESCCC1CNCCO1.CCCN1CCC(C)CC1.CCCN1CCCCC1C.N.N.N
InChIInChI=1S/2C9H19N.C6H13NO.3H3N/c1-3-6-10-7-4-9(2)5-8-10;1-3-7-10-8-5-4-6-9(10)2;1-2-6-5-7-3-4-8-6;;;/h2*9H,3-8H2,1-2H3;6-7H,2-5H2,1H3;3*1H3
InChIKeyYORVQDLFVSLMSL-UHFFFAOYSA-N
XLogP5.27
TPSA132.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.79
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?
The IUPAC name of azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine (CID 67158808) is azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine.
What is the SMILES notation for azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?
The canonical SMILES for azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine is CCC1CNCCO1.CCCN1CCC(C)CC1.CCCN1CCCCC1C.N.N.N.
What is the InChIKey of azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?
The InChIKey is YORVQDLFVSLMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C6H13NO.3H3N/c1-3-6-10-7-4-9(2)5-8-10;1-3-7-10-8-5-4-6-9(10)2;1-2-6-5-7-3-4-8-6;;;/h2*9H,3-8H2,1-2H3;6-7H,2-5H2,1H3;3*1H3.
What are the key properties of azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?
azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine has a molecular weight of 448.79 g/mol, XLogP of 5.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine is sourced from PubChem (CID 67158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).