5,5-dihydroxypentanimidamide

C5H12N2O2 — CID 87612742

IUPAC5,5-dihydroxypentanimidamide
SMILES[H]/N=C(\N)CCCC(O)O
InChIInChI=1S/C5H12N2O2/c6-4(7)2-1-3-5(8)9/h5,8-9H,1-3H2,(H3,6,7)
InChIKeyCDQJWBPWQCANEC-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.60
Rot. Bonds4

About 5,5-dihydroxypentanimidamide

5,5-dihydroxypentanimidamide (PubChem CID 87612742) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 5,5-dihydroxypentanimidamide.

Molecular Properties

Compound Name5,5-dihydroxypentanimidamide
PubChem CID87612742
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name5,5-dihydroxypentanimidamide
SMILES[H]/N=C(\N)CCCC(O)O
InChIInChI=1S/C5H12N2O2/c6-4(7)2-1-3-5(8)9/h5,8-9H,1-3H2,(H3,6,7)
InChIKeyCDQJWBPWQCANEC-UHFFFAOYSA-N
XLogP-0.60
TPSA90.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxypentanimidamide?
The IUPAC name of 5,5-dihydroxypentanimidamide (CID 87612742) is 5,5-dihydroxypentanimidamide.
What is the SMILES notation for 5,5-dihydroxypentanimidamide?
The canonical SMILES for 5,5-dihydroxypentanimidamide is [H]/N=C(\N)CCCC(O)O.
What is the InChIKey of 5,5-dihydroxypentanimidamide?
The InChIKey is CDQJWBPWQCANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-4(7)2-1-3-5(8)9/h5,8-9H,1-3H2,(H3,6,7).
What are the key properties of 5,5-dihydroxypentanimidamide?
5,5-dihydroxypentanimidamide has a molecular weight of 132.16 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxypentanimidamide is sourced from PubChem (CID 87612742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).