Acetic acid;azane;propan-1-amine

C11H28N2O8 — CID 22269600

IUPACacetic acid;azane;propan-1-amine
SMILESCCCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.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
LogP—
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
SMILESCCCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.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
XLogP—
TPSA176.00 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms21
Complexity38

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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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 CCCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.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 not available, 1 rotatable bonds, 6 hydrogen bond donors, and 10 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).