[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane

C6H18N6P+ — CID 12509332

IUPAC[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane
SMILESCN(C)P(=N[N+]#N)(N(C)C)N(C)C
InChIInChI=1S/C6H18N6P/c1-10(2)13(9-8-7,11(3)4)12(5)6/h1-6H3/q+1
InChIKeyIPAQSDKTOHOMQH-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.39
Rot. Bonds3

About [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane

[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane (PubChem CID 12509332) has the molecular formula C6H18N6P+ and a molecular weight of 205.23 g/mol. Its IUPAC name is [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane.

Molecular Properties

Compound Name[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane
PubChem CID12509332
Molecular FormulaC6H18N6P+
Molecular Weight205.23 g/mol
Exact Mass205.13
IUPAC Name[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane
SMILESCN(C)P(=N[N+]#N)(N(C)C)N(C)C
InChIInChI=1S/C6H18N6P/c1-10(2)13(9-8-7,11(3)4)12(5)6/h1-6H3/q+1
InChIKeyIPAQSDKTOHOMQH-UHFFFAOYSA-N
XLogP1.39
TPSA50.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane?
The IUPAC name of [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane (CID 12509332) is [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane.
What is the SMILES notation for [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane?
The canonical SMILES for [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane is CN(C)P(=N[N+]#N)(N(C)C)N(C)C.
What is the InChIKey of [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane?
The InChIKey is IPAQSDKTOHOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N6P/c1-10(2)13(9-8-7,11(3)4)12(5)6/h1-6H3/q+1.
What are the key properties of [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane?
[[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane has a molecular weight of 205.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[diazonioimino-bis(dimethylamino)-lambda5-phosphanyl]-methylamino]methane is sourced from PubChem (CID 12509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).