N-ethyl-N-propan-2-ylpropan-2-amine;oxane

C18H39NO2 — CID 68856314

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;oxane
SMILESC1CCOCC1.C1CCOCC1.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.2C5H10O/c1-6-9(7(2)3)8(4)5;2*1-2-4-6-5-3-1/h7-8H,6H2,1-5H3;2*1-5H2
InChIKeyKJMMOQNMGZIMPO-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.50
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;oxane

N-ethyl-N-propan-2-ylpropan-2-amine;oxane (PubChem CID 68856314) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;oxane.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;oxane
PubChem CID68856314
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;oxane
SMILESC1CCOCC1.C1CCOCC1.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.2C5H10O/c1-6-9(7(2)3)8(4)5;2*1-2-4-6-5-3-1/h7-8H,6H2,1-5H3;2*1-5H2
InChIKeyKJMMOQNMGZIMPO-UHFFFAOYSA-N
XLogP4.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;oxane?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;oxane (CID 68856314) is N-ethyl-N-propan-2-ylpropan-2-amine;oxane.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;oxane?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;oxane is C1CCOCC1.C1CCOCC1.CCN(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;oxane?
The InChIKey is KJMMOQNMGZIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.2C5H10O/c1-6-9(7(2)3)8(4)5;2*1-2-4-6-5-3-1/h7-8H,6H2,1-5H3;2*1-5H2.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;oxane?
N-ethyl-N-propan-2-ylpropan-2-amine;oxane has a molecular weight of 301.52 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;oxane is sourced from PubChem (CID 68856314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).