1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine

C5H14N2O4 — CID 21407054

IUPAC1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine
SMILESCCC(CCN(O)O)N(O)O
InChIInChI=1S/C5H14N2O4/c1-2-5(7(10)11)3-4-6(8)9/h5,8-11H,2-4H2,1H3
InChIKeyGNFBBHWTISVVQD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.32
Rot. Bonds5

About 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine

1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine (PubChem CID 21407054) has the molecular formula C5H14N2O4 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine
PubChem CID21407054
Molecular FormulaC5H14N2O4
Molecular Weight166.18 g/mol
Exact Mass166.10
IUPAC Name1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine
SMILESCCC(CCN(O)O)N(O)O
InChIInChI=1S/C5H14N2O4/c1-2-5(7(10)11)3-4-6(8)9/h5,8-11H,2-4H2,1H3
InChIKeyGNFBBHWTISVVQD-UHFFFAOYSA-N
XLogP0.32
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine (CID 21407054) is 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine is CCC(CCN(O)O)N(O)O.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine?
The InChIKey is GNFBBHWTISVVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4/c1-2-5(7(10)11)3-4-6(8)9/h5,8-11H,2-4H2,1H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine?
1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine has a molecular weight of 166.18 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrahydroxypentane-1,3-diamine is sourced from PubChem (CID 21407054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).