acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine

C13H34N4O9 — CID 160667844

IUPACacetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCC(O)CN.NCCN
InChIInChI=1S/C3H10N2O.C2H8N2.4C2H4O2/c4-1-3(6)2-5;3-1-2-4;4*1-2(3)4/h3,6H,1-2,4-5H2;1-4H2;4*1H3,(H,3,4)
InChIKeyRMNSOXTWDJDCOM-UHFFFAOYSA-N
MW390.43 g/mol
LogP-2.47
Rot. Bonds3

About acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine

acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine (PubChem CID 160667844) has the molecular formula C13H34N4O9 and a molecular weight of 390.43 g/mol. Its IUPAC name is acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
PubChem CID160667844
Molecular FormulaC13H34N4O9
Molecular Weight390.43 g/mol
Exact Mass390.23
IUPAC Nameacetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCC(O)CN.NCCN
InChIInChI=1S/C3H10N2O.C2H8N2.4C2H4O2/c4-1-3(6)2-5;3-1-2-4;4*1-2(3)4/h3,6H,1-2,4-5H2;1-4H2;4*1H3,(H,3,4)
InChIKeyRMNSOXTWDJDCOM-UHFFFAOYSA-N
XLogP-2.47
TPSA273.51 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 5-2.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

acetic acid;3-aminopropane-1,2-diol
CID 158327345
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323
CID 160967655
CID 160967655
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine?
The IUPAC name of acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine (CID 160667844) is acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine.
What is the SMILES notation for acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine?
The canonical SMILES for acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCC(O)CN.NCCN.
What is the InChIKey of acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine?
The InChIKey is RMNSOXTWDJDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O.C2H8N2.4C2H4O2/c4-1-3(6)2-5;3-1-2-4;4*1-2(3)4/h3,6H,1-2,4-5H2;1-4H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine?
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine has a molecular weight of 390.43 g/mol, XLogP of -2.47, 3 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine is sourced from PubChem (CID 160667844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).