acetic acid;azane;propan-1-amine

C11H28N2O8 — CID 22269600

IUPACacetic acid;azane;propan-1-amine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCN.N
InChIInChI=1S/C3H9N.4C2H4O2.H3N/c1-2-3-4;4*1-2(3)4;/h2-4H2,1H3;4*1H3,(H,3,4);1H3
InChIKeyJSJAJJNNLCVJDI-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.88
Rot. Bonds1

About acetic acid;azane;propan-1-amine

acetic acid;azane;propan-1-amine (PubChem CID 22269600) has the molecular formula C11H28N2O8 and a molecular weight of 316.35 g/mol. Its IUPAC name is acetic acid;azane;propan-1-amine.

Molecular Properties

Compound Nameacetic acid;azane;propan-1-amine
PubChem CID22269600
Molecular FormulaC11H28N2O8
Molecular Weight316.35 g/mol
Exact Mass316.18
IUPAC Nameacetic acid;azane;propan-1-amine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCN.N
InChIInChI=1S/C3H9N.4C2H4O2.H3N/c1-2-3-4;4*1-2(3)4;/h2-4H2,1H3;4*1H3,(H,3,4);1H3
InChIKeyJSJAJJNNLCVJDI-UHFFFAOYSA-N
XLogP0.88
TPSA210.22 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.35
LogP ≤ 50.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 160895097
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acetic acid;ethane-1,2-diamine;ytterbium
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acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;ethane-1,2-diamine;λ2-plumbane
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acetic acid;azane;propane
CID 173127482
acetic acid;methanediamine
CID 162329452
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975
acetic acid;bis(ethane-1,2-diamine);propanoic acid
CID 173315141
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Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;propan-1-amine?
The IUPAC name of acetic acid;azane;propan-1-amine (CID 22269600) is acetic acid;azane;propan-1-amine.
What is the SMILES notation for acetic acid;azane;propan-1-amine?
The canonical SMILES for acetic acid;azane;propan-1-amine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCN.N.
What is the InChIKey of acetic acid;azane;propan-1-amine?
The InChIKey is JSJAJJNNLCVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.4C2H4O2.H3N/c1-2-3-4;4*1-2(3)4;/h2-4H2,1H3;4*1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;propan-1-amine?
acetic acid;azane;propan-1-amine has a molecular weight of 316.35 g/mol, XLogP of 0.88, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;propan-1-amine is sourced from PubChem (CID 22269600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).