2,4,6,8-tetraaminononane-1,3,5,7-tetrol

C9H24N4O4 — CID 122503748

IUPAC2,4,6,8-tetraaminononane-1,3,5,7-tetrol
SMILESCC(N)C(O)C(N)C(O)C(N)C(O)C(N)CO
InChIInChI=1S/C9H24N4O4/c1-3(10)7(15)5(12)9(17)6(13)8(16)4(11)2-14/h3-9,14-17H,2,10-13H2,1H3
InChIKeyZIBNLEMRTLXUNG-UHFFFAOYSA-N
MW252.32 g/mol
LogP-4.61
Rot. Bonds7

About 2,4,6,8-tetraaminononane-1,3,5,7-tetrol

2,4,6,8-tetraaminononane-1,3,5,7-tetrol (PubChem CID 122503748) has the molecular formula C9H24N4O4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4,6,8-tetraaminononane-1,3,5,7-tetrol.

Molecular Properties

Compound Name2,4,6,8-tetraaminononane-1,3,5,7-tetrol
PubChem CID122503748
Molecular FormulaC9H24N4O4
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2,4,6,8-tetraaminononane-1,3,5,7-tetrol
SMILESCC(N)C(O)C(N)C(O)C(N)C(O)C(N)CO
InChIInChI=1S/C9H24N4O4/c1-3(10)7(15)5(12)9(17)6(13)8(16)4(11)2-14/h3-9,14-17H,2,10-13H2,1H3
InChIKeyZIBNLEMRTLXUNG-UHFFFAOYSA-N
XLogP-4.61
TPSA185.00 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.32
LogP ≤ 5-4.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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(2R,3S,4R)-2-aminohexane-1,3,4-triol
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(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
2-aminopropan-1-ol;hydrofluoride
CID 22617394
1,4-diamino-2-methylpentane-1,3-diol
CID 57091383
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
3-aminobutane-1,1,2-triol
CID 87504265
(2S)-2-amino-3-sulfanylbutan-1-ol
CID 151475591
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
3-aminopentane-1,4-diol
CID 23064801

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetraaminononane-1,3,5,7-tetrol?
The IUPAC name of 2,4,6,8-tetraaminononane-1,3,5,7-tetrol (CID 122503748) is 2,4,6,8-tetraaminononane-1,3,5,7-tetrol.
What is the SMILES notation for 2,4,6,8-tetraaminononane-1,3,5,7-tetrol?
The canonical SMILES for 2,4,6,8-tetraaminononane-1,3,5,7-tetrol is CC(N)C(O)C(N)C(O)C(N)C(O)C(N)CO.
What is the InChIKey of 2,4,6,8-tetraaminononane-1,3,5,7-tetrol?
The InChIKey is ZIBNLEMRTLXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O4/c1-3(10)7(15)5(12)9(17)6(13)8(16)4(11)2-14/h3-9,14-17H,2,10-13H2,1H3.
What are the key properties of 2,4,6,8-tetraaminononane-1,3,5,7-tetrol?
2,4,6,8-tetraaminononane-1,3,5,7-tetrol has a molecular weight of 252.32 g/mol, XLogP of -4.61, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetraaminononane-1,3,5,7-tetrol is sourced from PubChem (CID 122503748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).