2,2-dihydroxydecanediimidamide

C10H22N4O2 — CID 87574003

IUPAC2,2-dihydroxydecanediimidamide
SMILES[H]/N=C(\N)CCCCCCCC(O)(O)/C(N)=N/[H]
InChIInChI=1S/C10H22N4O2/c11-8(12)6-4-2-1-3-5-7-10(15,16)9(13)14/h15-16H,1-7H2,(H3,11,12)(H3,13,14)
InChIKeyUNURTTFPMGNWCD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.27
Rot. Bonds9

About 2,2-dihydroxydecanediimidamide

2,2-dihydroxydecanediimidamide (PubChem CID 87574003) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,2-dihydroxydecanediimidamide.

Molecular Properties

Compound Name2,2-dihydroxydecanediimidamide
PubChem CID87574003
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2,2-dihydroxydecanediimidamide
SMILES[H]/N=C(\N)CCCCCCCC(O)(O)/C(N)=N/[H]
InChIInChI=1S/C10H22N4O2/c11-8(12)6-4-2-1-3-5-7-10(15,16)9(13)14/h15-16H,1-7H2,(H3,11,12)(H3,13,14)
InChIKeyUNURTTFPMGNWCD-UHFFFAOYSA-N
XLogP0.27
TPSA140.20 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 50.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,2-dihydroxydecanediimidamide?
The IUPAC name of 2,2-dihydroxydecanediimidamide (CID 87574003) is 2,2-dihydroxydecanediimidamide.
What is the SMILES notation for 2,2-dihydroxydecanediimidamide?
The canonical SMILES for 2,2-dihydroxydecanediimidamide is [H]/N=C(\N)CCCCCCCC(O)(O)/C(N)=N/[H].
What is the InChIKey of 2,2-dihydroxydecanediimidamide?
The InChIKey is UNURTTFPMGNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c11-8(12)6-4-2-1-3-5-7-10(15,16)9(13)14/h15-16H,1-7H2,(H3,11,12)(H3,13,14).
What are the key properties of 2,2-dihydroxydecanediimidamide?
2,2-dihydroxydecanediimidamide has a molecular weight of 230.31 g/mol, XLogP of 0.27, 9 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxydecanediimidamide is sourced from PubChem (CID 87574003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).