acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine

C10H23NO2 — CID 11506599

IUPACacetic acid;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCC(=O)O.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.C2H4O2/c1-6-9(7(2)3)8(4)5;1-2(3)4/h7-8H,6H2,1-5H3;1H3,(H,3,4)
InChIKeyBEUROVCVPIQRKY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.22
Rot. Bonds3

About acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine

acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 11506599) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Nameacetic acid;N-ethyl-N-propan-2-ylpropan-2-amine
PubChem CID11506599
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameacetic acid;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCC(=O)O.CCN(C(C)C)C(C)C
InChIInChI=1S/C8H19N.C2H4O2/c1-6-9(7(2)3)8(4)5;1-2(3)4/h7-8H,6H2,1-5H3;1H3,(H,3,4)
InChIKeyBEUROVCVPIQRKY-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triethylamine acetate
CID 165295
Tetraethylammonium acetate tetrahydrate
CID 2724098
Tripropylammonium acetate
CID 105797
1-Propanaminium, N,N,N-tripropyl-, acetate
CID 9964835
Propanoic acid, compd. with N,N-dipropyl-1-propanamine (1:1)
CID 111608
Tributylamine acetate
CID 9942898
n,n-Dimethylbutylamine acetate
CID 22623645
N,N-diisopropylethylamine trifluoroacetate
CID 12593398
Carboxymethyl-dimethyl-propan-2-ylazanium
CID 44366698
acetic acid;N-ethyl-N-methylethanamine
CID 71326185
N,N-diethylethanamine;propanoic acid
CID 71366369
Acetic acid;tetraethylazanium
CID 423218

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine (CID 11506599) is acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine is CC(=O)O.CCN(C(C)C)C(C)C.
What is the InChIKey of acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The InChIKey is BEUROVCVPIQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H4O2/c1-6-9(7(2)3)8(4)5;1-2(3)4/h7-8H,6H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11506599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).