N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine

C13H36N6P2 — CID 23416431

IUPACN-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=C=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C13H36N6P2/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12/h1-12H3
InChIKeyXYPCDHULPLDYSF-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.52
Rot. Bonds6

About N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine

N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 23416431) has the molecular formula C13H36N6P2 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine
PubChem CID23416431
Molecular FormulaC13H36N6P2
Molecular Weight338.42 g/mol
Exact Mass338.25
IUPAC NameN-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=C=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C13H36N6P2/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12/h1-12H3
InChIKeyXYPCDHULPLDYSF-UHFFFAOYSA-N
XLogP1.52
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine (CID 23416431) is N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=C=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is XYPCDHULPLDYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H36N6P2/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12/h1-12H3.
What are the key properties of N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 338.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]methylidene]-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 23416431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).