diaminomethylidene(4-hydroxybutyl)azanium

C5H14N3O+ — CID 144608789

IUPACdiaminomethylidene(4-hydroxybutyl)azanium
SMILESNC(N)=[NH+]CCCCO
InChIInChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8)/p+1
InChIKeyFULLTSYFDLSFSF-UHFFFAOYSA-O
MW132.19 g/mol
LogP-2.89
Rot. Bonds4

About diaminomethylidene(4-hydroxybutyl)azanium

diaminomethylidene(4-hydroxybutyl)azanium (PubChem CID 144608789) has the molecular formula C5H14N3O+ and a molecular weight of 132.19 g/mol. Its IUPAC name is diaminomethylidene(4-hydroxybutyl)azanium.

Molecular Properties

Compound Namediaminomethylidene(4-hydroxybutyl)azanium
PubChem CID144608789
Molecular FormulaC5H14N3O+
Molecular Weight132.19 g/mol
Exact Mass132.11
IUPAC Namediaminomethylidene(4-hydroxybutyl)azanium
SMILESNC(N)=[NH+]CCCCO
InChIInChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8)/p+1
InChIKeyFULLTSYFDLSFSF-UHFFFAOYSA-O
XLogP-2.89
TPSA86.24 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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 diaminomethylidene(4-hydroxybutyl)azanium?
The IUPAC name of diaminomethylidene(4-hydroxybutyl)azanium (CID 144608789) is diaminomethylidene(4-hydroxybutyl)azanium.
What is the SMILES notation for diaminomethylidene(4-hydroxybutyl)azanium?
The canonical SMILES for diaminomethylidene(4-hydroxybutyl)azanium is NC(N)=[NH+]CCCCO.
What is the InChIKey of diaminomethylidene(4-hydroxybutyl)azanium?
The InChIKey is FULLTSYFDLSFSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8)/p+1.
What are the key properties of diaminomethylidene(4-hydroxybutyl)azanium?
diaminomethylidene(4-hydroxybutyl)azanium has a molecular weight of 132.19 g/mol, XLogP of -2.89, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(4-hydroxybutyl)azanium is sourced from PubChem (CID 144608789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).