N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane

C15H36N2S — CID 143423583

IUPACN-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane
SMILESCCC.CCCCN(C)CC.CN1CCSCC1
InChIInChI=1S/C7H17N.C5H11NS.C3H8/c1-4-6-7-8(3)5-2;1-6-2-4-7-5-3-6;1-3-2/h4-7H2,1-3H3;2-5H2,1H3;3H2,1-2H3
InChIKeyHBIPRMKWRGVQFX-UHFFFAOYSA-N
MW276.53 g/mol
LogP3.82
Rot. Bonds4

About N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane

N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane (PubChem CID 143423583) has the molecular formula C15H36N2S and a molecular weight of 276.53 g/mol. Its IUPAC name is N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane.

Molecular Properties

Compound NameN-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane
PubChem CID143423583
Molecular FormulaC15H36N2S
Molecular Weight276.53 g/mol
Exact Mass276.26
IUPAC NameN-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane
SMILESCCC.CCCCN(C)CC.CN1CCSCC1
InChIInChI=1S/C7H17N.C5H11NS.C3H8/c1-4-6-7-8(3)5-2;1-6-2-4-7-5-3-6;1-3-2/h4-7H2,1-3H3;2-5H2,1H3;3H2,1-2H3
InChIKeyHBIPRMKWRGVQFX-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane?
The IUPAC name of N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane (CID 143423583) is N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane.
What is the SMILES notation for N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane?
The canonical SMILES for N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane is CCC.CCCCN(C)CC.CN1CCSCC1.
What is the InChIKey of N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane?
The InChIKey is HBIPRMKWRGVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C5H11NS.C3H8/c1-4-6-7-8(3)5-2;1-6-2-4-7-5-3-6;1-3-2/h4-7H2,1-3H3;2-5H2,1H3;3H2,1-2H3.
What are the key properties of N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane?
N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane has a molecular weight of 276.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylbutan-1-amine;4-methylthiomorpholine;propane is sourced from PubChem (CID 143423583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).