ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate

C10H27NO2 — CID 87772214

IUPACethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
SMILESCCN(C(C)C)C(C)C.CCO.O
InChIInChI=1S/C8H19N.C2H6O.H2O/c1-6-9(7(2)3)8(4)5;1-2-3;/h7-8H,6H2,1-5H3;3H,2H2,1H3;1H2
InChIKeyDMVQNLAECPFTGP-UHFFFAOYSA-N
MW193.33 g/mol
LogP1.30
Rot. Bonds3

About ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate

ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate (PubChem CID 87772214) has the molecular formula C10H27NO2 and a molecular weight of 193.33 g/mol. Its IUPAC name is ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate.

Molecular Properties

Compound Nameethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
PubChem CID87772214
Molecular FormulaC10H27NO2
Molecular Weight193.33 g/mol
Exact Mass193.20
IUPAC Nameethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
SMILESCCN(C(C)C)C(C)C.CCO.O
InChIInChI=1S/C8H19N.C2H6O.H2O/c1-6-9(7(2)3)8(4)5;1-2-3;/h7-8H,6H2,1-5H3;3H,2H2,1H3;1H2
InChIKeyDMVQNLAECPFTGP-UHFFFAOYSA-N
XLogP1.30
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate?
The IUPAC name of ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate (CID 87772214) is ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate.
What is the SMILES notation for ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate?
The canonical SMILES for ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate is CCN(C(C)C)C(C)C.CCO.O.
What is the InChIKey of ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate?
The InChIKey is DMVQNLAECPFTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6O.H2O/c1-6-9(7(2)3)8(4)5;1-2-3;/h7-8H,6H2,1-5H3;3H,2H2,1H3;1H2.
What are the key properties of ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate?
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate has a molecular weight of 193.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate is sourced from PubChem (CID 87772214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).