acetic acid;azane;propane

C5H18N2O2 — CID 173127482

IUPACacetic acid;azane;propane
SMILESCC(=O)O.CCC.N.N
InChIInChI=1S/C3H8.C2H4O2.2H3N/c1-3-2;1-2(3)4;;/h3H2,1-2H3;1H3,(H,3,4);2*1H3
InChIKeyXBPGVJKVQQFRBE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.83
Rot. Bonds

About acetic acid;azane;propane

acetic acid;azane;propane (PubChem CID 173127482) has the molecular formula C5H18N2O2 and a molecular weight of 138.21 g/mol. Its IUPAC name is acetic acid;azane;propane.

Molecular Properties

Compound Nameacetic acid;azane;propane
PubChem CID173127482
Molecular FormulaC5H18N2O2
Molecular Weight138.21 g/mol
Exact Mass138.14
IUPAC Nameacetic acid;azane;propane
SMILESCC(=O)O.CCC.N.N
InChIInChI=1S/C3H8.C2H4O2.2H3N/c1-3-2;1-2(3)4;;/h3H2,1-2H3;1H3,(H,3,4);2*1H3
InChIKeyXBPGVJKVQQFRBE-UHFFFAOYSA-N
XLogP1.83
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175328207
CID 175328207
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CID 173406712

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;propane?
The IUPAC name of acetic acid;azane;propane (CID 173127482) is acetic acid;azane;propane.
What is the SMILES notation for acetic acid;azane;propane?
The canonical SMILES for acetic acid;azane;propane is CC(=O)O.CCC.N.N.
What is the InChIKey of acetic acid;azane;propane?
The InChIKey is XBPGVJKVQQFRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H4O2.2H3N/c1-3-2;1-2(3)4;;/h3H2,1-2H3;1H3,(H,3,4);2*1H3.
What are the key properties of acetic acid;azane;propane?
acetic acid;azane;propane has a molecular weight of 138.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;propane is sourced from PubChem (CID 173127482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).