octadecanediimidamide;dihydrochloride

C18H40Cl2N4 — CID 24741615

IUPACoctadecanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCCCCCCCCCCCCCC/C(N)=N/[H]
InChIInChI=1S/C18H38N4.2ClH/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H3,19,20)(H3,21,22);2*1H
InChIKeyHSRMSBXQWYLBRH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.94
Rot. Bonds17

About octadecanediimidamide;dihydrochloride

octadecanediimidamide;dihydrochloride (PubChem CID 24741615) has the molecular formula C18H40Cl2N4 and a molecular weight of 383.45 g/mol. Its IUPAC name is octadecanediimidamide;dihydrochloride.

Molecular Properties

Compound Nameoctadecanediimidamide;dihydrochloride
PubChem CID24741615
Molecular FormulaC18H40Cl2N4
Molecular Weight383.45 g/mol
Exact Mass382.26
IUPAC Nameoctadecanediimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCCCCCCCCCCCCCCC/C(N)=N/[H]
InChIInChI=1S/C18H38N4.2ClH/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H3,19,20)(H3,21,22);2*1H
InChIKeyHSRMSBXQWYLBRH-UHFFFAOYSA-N
XLogP5.94
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 octadecanediimidamide;dihydrochloride?
The IUPAC name of octadecanediimidamide;dihydrochloride (CID 24741615) is octadecanediimidamide;dihydrochloride.
What is the SMILES notation for octadecanediimidamide;dihydrochloride?
The canonical SMILES for octadecanediimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCCCCCCCCCCCCCCC/C(N)=N/[H].
What is the InChIKey of octadecanediimidamide;dihydrochloride?
The InChIKey is HSRMSBXQWYLBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4.2ClH/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H3,19,20)(H3,21,22);2*1H.
What are the key properties of octadecanediimidamide;dihydrochloride?
octadecanediimidamide;dihydrochloride has a molecular weight of 383.45 g/mol, XLogP of 5.94, 17 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanediimidamide;dihydrochloride is sourced from PubChem (CID 24741615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).