azanium;1,2,3-tri(propan-2-yl)guanidine;iodide

C10H27IN4 — CID 139145548

IUPACazanium;1,2,3-tri(propan-2-yl)guanidine;iodide
SMILESCC(C)N=C(NC(C)C)NC(C)C.[I-].[NH4+]
InChIInChI=1S/C10H23N3.HI.H3N/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3,(H2,11,12,13);1H;1H3
InChIKeyVCUUVPWFDKFTTK-UHFFFAOYSA-N
MW330.26 g/mol
LogP-0.87
Rot. Bonds3

About azanium;1,2,3-tri(propan-2-yl)guanidine;iodide

azanium;1,2,3-tri(propan-2-yl)guanidine;iodide (PubChem CID 139145548) has the molecular formula C10H27IN4 and a molecular weight of 330.26 g/mol. Its IUPAC name is azanium;1,2,3-tri(propan-2-yl)guanidine;iodide.

Molecular Properties

Compound Nameazanium;1,2,3-tri(propan-2-yl)guanidine;iodide
PubChem CID139145548
Molecular FormulaC10H27IN4
Molecular Weight330.26 g/mol
Exact Mass330.13
IUPAC Nameazanium;1,2,3-tri(propan-2-yl)guanidine;iodide
SMILESCC(C)N=C(NC(C)C)NC(C)C.[I-].[NH4+]
InChIInChI=1S/C10H23N3.HI.H3N/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3,(H2,11,12,13);1H;1H3
InChIKeyVCUUVPWFDKFTTK-UHFFFAOYSA-N
XLogP-0.87
TPSA72.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;1,2,3-tri(propan-2-yl)guanidine;iodide?
The IUPAC name of azanium;1,2,3-tri(propan-2-yl)guanidine;iodide (CID 139145548) is azanium;1,2,3-tri(propan-2-yl)guanidine;iodide.
What is the SMILES notation for azanium;1,2,3-tri(propan-2-yl)guanidine;iodide?
The canonical SMILES for azanium;1,2,3-tri(propan-2-yl)guanidine;iodide is CC(C)N=C(NC(C)C)NC(C)C.[I-].[NH4+].
What is the InChIKey of azanium;1,2,3-tri(propan-2-yl)guanidine;iodide?
The InChIKey is VCUUVPWFDKFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3.HI.H3N/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3,(H2,11,12,13);1H;1H3.
What are the key properties of azanium;1,2,3-tri(propan-2-yl)guanidine;iodide?
azanium;1,2,3-tri(propan-2-yl)guanidine;iodide has a molecular weight of 330.26 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;1,2,3-tri(propan-2-yl)guanidine;iodide is sourced from PubChem (CID 139145548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).