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

C11H27NO — CID 159144844

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
SMILESCC(C)O.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.C3H8O/c1-6-9(7(2)3)8(4)5;1-3(2)4/h7-8H,6H2,1-5H3;3-4H,1-2H3
InChIKeyKINZKQQNPHHPEJ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.51
Rot. Bonds3

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

N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol (PubChem CID 159144844) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
PubChem CID159144844
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
SMILESCC(C)O.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.C3H8O/c1-6-9(7(2)3)8(4)5;1-3(2)4/h7-8H,6H2,1-5H3;3-4H,1-2H3
InChIKeyKINZKQQNPHHPEJ-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol (CID 159144844) is N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol is CC(C)O.CCN(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol?
The InChIKey is KINZKQQNPHHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H8O/c1-6-9(7(2)3)8(4)5;1-3(2)4/h7-8H,6H2,1-5H3;3-4H,1-2H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol?
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol has a molecular weight of 189.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol is sourced from PubChem (CID 159144844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).