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

C9H23NO — CID 22502350

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;methanol
SMILESCCN(C(C)C)C(C)C.CO
InChIInChI=1S/C8H19N.CH4O/c1-6-9(7(2)3)8(4)5;1-2/h7-8H,6H2,1-5H3;2H,1H3
InChIKeyHZRXWIFPJUDRPZ-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds3

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

N-ethyl-N-propan-2-ylpropan-2-amine;methanol (PubChem CID 22502350) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;methanol.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;methanol
PubChem CID22502350
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;methanol
SMILESCCN(C(C)C)C(C)C.CO
InChIInChI=1S/C8H19N.CH4O/c1-6-9(7(2)3)8(4)5;1-2/h7-8H,6H2,1-5H3;2H,1H3
InChIKeyHZRXWIFPJUDRPZ-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
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;methanol?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;methanol (CID 22502350) is N-ethyl-N-propan-2-ylpropan-2-amine;methanol.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;methanol?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;methanol is CCN(C(C)C)C(C)C.CO.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;methanol?
The InChIKey is HZRXWIFPJUDRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CH4O/c1-6-9(7(2)3)8(4)5;1-2/h7-8H,6H2,1-5H3;2H,1H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;methanol?
N-ethyl-N-propan-2-ylpropan-2-amine;methanol has a molecular weight of 161.29 g/mol, XLogP of 1.73, 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;methanol is sourced from PubChem (CID 22502350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).