acetic acid;ethane;methanamine;methane;propan-2-one

C9H25NO3 — CID 161286657

IUPACacetic acid;ethane;methanamine;methane;propan-2-one
SMILESC.CC.CC(=O)O.CC(C)=O.CN
InChIInChI=1S/C3H6O.C2H4O2.C2H6.CH5N.CH4/c1-3(2)4;1-2(3)4;2*1-2;/h1-2H3;1H3,(H,3,4);1-2H3;2H2,1H3;1H4
InChIKeyCARPSOFHNFXGHG-UHFFFAOYSA-N
MW195.30 g/mol
LogP1.92
Rot. Bonds

About acetic acid;ethane;methanamine;methane;propan-2-one

acetic acid;ethane;methanamine;methane;propan-2-one (PubChem CID 161286657) has the molecular formula C9H25NO3 and a molecular weight of 195.30 g/mol. Its IUPAC name is acetic acid;ethane;methanamine;methane;propan-2-one.

Molecular Properties

Compound Nameacetic acid;ethane;methanamine;methane;propan-2-one
PubChem CID161286657
Molecular FormulaC9H25NO3
Molecular Weight195.30 g/mol
Exact Mass195.18
IUPAC Nameacetic acid;ethane;methanamine;methane;propan-2-one
SMILESC.CC.CC(=O)O.CC(C)=O.CN
InChIInChI=1S/C3H6O.C2H4O2.C2H6.CH5N.CH4/c1-3(2)4;1-2(3)4;2*1-2;/h1-2H3;1H3,(H,3,4);1-2H3;2H2,1H3;1H4
InChIKeyCARPSOFHNFXGHG-UHFFFAOYSA-N
XLogP1.92
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;methanamine;methane;propan-2-one?
The IUPAC name of acetic acid;ethane;methanamine;methane;propan-2-one (CID 161286657) is acetic acid;ethane;methanamine;methane;propan-2-one.
What is the SMILES notation for acetic acid;ethane;methanamine;methane;propan-2-one?
The canonical SMILES for acetic acid;ethane;methanamine;methane;propan-2-one is C.CC.CC(=O)O.CC(C)=O.CN.
What is the InChIKey of acetic acid;ethane;methanamine;methane;propan-2-one?
The InChIKey is CARPSOFHNFXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O2.C2H6.CH5N.CH4/c1-3(2)4;1-2(3)4;2*1-2;/h1-2H3;1H3,(H,3,4);1-2H3;2H2,1H3;1H4.
What are the key properties of acetic acid;ethane;methanamine;methane;propan-2-one?
acetic acid;ethane;methanamine;methane;propan-2-one has a molecular weight of 195.30 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;methanamine;methane;propan-2-one is sourced from PubChem (CID 161286657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).