3-propan-2-ylbenzene-1,2-diamine;tungsten

C9H13N2W- — CID 59946286

IUPAC3-propan-2-ylbenzene-1,2-diamine;tungsten
SMILESC[C-](C)c1cccc(N)c1N.[W]
InChIInChI=1S/C9H13N2.W/c1-6(2)7-4-3-5-8(10)9(7)11;/h3-5H,10-11H2,1-2H3;/q-1;
InChIKeyJDMJWROTCYZQPL-UHFFFAOYSA-N
MW333.06 g/mol
LogP1.81
Rot. Bonds1

About 3-propan-2-ylbenzene-1,2-diamine;tungsten

3-propan-2-ylbenzene-1,2-diamine;tungsten (PubChem CID 59946286) has the molecular formula C9H13N2W- and a molecular weight of 333.06 g/mol. Its IUPAC name is 3-propan-2-ylbenzene-1,2-diamine;tungsten.

Molecular Properties

Compound Name3-propan-2-ylbenzene-1,2-diamine;tungsten
PubChem CID59946286
Molecular FormulaC9H13N2W-
Molecular Weight333.06 g/mol
Exact Mass333.06
IUPAC Name3-propan-2-ylbenzene-1,2-diamine;tungsten
SMILESC[C-](C)c1cccc(N)c1N.[W]
InChIInChI=1S/C9H13N2.W/c1-6(2)7-4-3-5-8(10)9(7)11;/h3-5H,10-11H2,1-2H3;/q-1;
InChIKeyJDMJWROTCYZQPL-UHFFFAOYSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbenzene-1,2-diamine;tungsten?
The IUPAC name of 3-propan-2-ylbenzene-1,2-diamine;tungsten (CID 59946286) is 3-propan-2-ylbenzene-1,2-diamine;tungsten.
What is the SMILES notation for 3-propan-2-ylbenzene-1,2-diamine;tungsten?
The canonical SMILES for 3-propan-2-ylbenzene-1,2-diamine;tungsten is C[C-](C)c1cccc(N)c1N.[W].
What is the InChIKey of 3-propan-2-ylbenzene-1,2-diamine;tungsten?
The InChIKey is JDMJWROTCYZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2.W/c1-6(2)7-4-3-5-8(10)9(7)11;/h3-5H,10-11H2,1-2H3;/q-1;.
What are the key properties of 3-propan-2-ylbenzene-1,2-diamine;tungsten?
3-propan-2-ylbenzene-1,2-diamine;tungsten has a molecular weight of 333.06 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbenzene-1,2-diamine;tungsten is sourced from PubChem (CID 59946286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).