carbonic acid;bis(ethane-1,2-diamine)

C5H18N4O3 — CID 174908365

IUPACcarbonic acid;bis(ethane-1,2-diamine)
SMILESNCCN.NCCN.O=C(O)O
InChIInChI=1S/2C2H8N2.CH2O3/c2*3-1-2-4;2-1(3)4/h2*1-4H2;(H2,2,3,4)
InChIKeyYADYOAQEEXTAKP-UHFFFAOYSA-N
MW182.22 g/mol
LogP-1.97
Rot. Bonds2

About carbonic acid;bis(ethane-1,2-diamine)

carbonic acid;bis(ethane-1,2-diamine) (PubChem CID 174908365) has the molecular formula C5H18N4O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is carbonic acid;bis(ethane-1,2-diamine).

Molecular Properties

Compound Namecarbonic acid;bis(ethane-1,2-diamine)
PubChem CID174908365
Molecular FormulaC5H18N4O3
Molecular Weight182.22 g/mol
Exact Mass182.14
IUPAC Namecarbonic acid;bis(ethane-1,2-diamine)
SMILESNCCN.NCCN.O=C(O)O
InChIInChI=1S/2C2H8N2.CH2O3/c2*3-1-2-4;2-1(3)4/h2*1-4H2;(H2,2,3,4)
InChIKeyYADYOAQEEXTAKP-UHFFFAOYSA-N
XLogP-1.97
TPSA161.61 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.22
LogP ≤ 5-1.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

carbonic acid;ethane-1,2-diamine
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CID 160895097
CID 160895097
acetic acid;copper;ethane-1,2-diamine
CID 155386634
(2-aminoacetic acid);carbonic acid
CID 173312624
CID 173009716
CID 173009716
ethane-1,2-diamine;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis(ethane-1,2-diamine)?
The IUPAC name of carbonic acid;bis(ethane-1,2-diamine) (CID 174908365) is carbonic acid;bis(ethane-1,2-diamine).
What is the SMILES notation for carbonic acid;bis(ethane-1,2-diamine)?
The canonical SMILES for carbonic acid;bis(ethane-1,2-diamine) is NCCN.NCCN.O=C(O)O.
What is the InChIKey of carbonic acid;bis(ethane-1,2-diamine)?
The InChIKey is YADYOAQEEXTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2.CH2O3/c2*3-1-2-4;2-1(3)4/h2*1-4H2;(H2,2,3,4).
What are the key properties of carbonic acid;bis(ethane-1,2-diamine)?
carbonic acid;bis(ethane-1,2-diamine) has a molecular weight of 182.22 g/mol, XLogP of -1.97, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(ethane-1,2-diamine) is sourced from PubChem (CID 174908365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).