N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine

C13H36N7P2+ — CID 155306691

IUPACN,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
SMILESCN(C)P(=N[P+]1(N(C)C)N(C)CCCN1C)(N(C)C)N(C)C
InChIInChI=1S/C13H36N7P2/c1-15(2)21(16(3)4,17(5)6)14-22(18(7)8)19(9)12-11-13-20(22)10/h11-13H2,1-10H3/q+1
InChIKeyVBRPEQXESYBLAX-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.12
Rot. Bonds5

About N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine

N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine (PubChem CID 155306691) has the molecular formula C13H36N7P2+ and a molecular weight of 352.43 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
PubChem CID155306691
Molecular FormulaC13H36N7P2+
Molecular Weight352.43 g/mol
Exact Mass352.25
IUPAC NameN,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
SMILESCN(C)P(=N[P+]1(N(C)C)N(C)CCCN1C)(N(C)C)N(C)C
InChIInChI=1S/C13H36N7P2/c1-15(2)21(16(3)4,17(5)6)14-22(18(7)8)19(9)12-11-13-20(22)10/h11-13H2,1-10H3/q+1
InChIKeyVBRPEQXESYBLAX-UHFFFAOYSA-N
XLogP2.12
TPSA31.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The IUPAC name of N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine (CID 155306691) is N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The canonical SMILES for N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine is CN(C)P(=N[P+]1(N(C)C)N(C)CCCN1C)(N(C)C)N(C)C.
What is the InChIKey of N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
The InChIKey is VBRPEQXESYBLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H36N7P2/c1-15(2)21(16(3)4,17(5)6)14-22(18(7)8)19(9)12-11-13-20(22)10/h11-13H2,1-10H3/q+1.
What are the key properties of N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine?
N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine has a molecular weight of 352.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine is sourced from PubChem (CID 155306691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).