N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine

C20H38N8P2 — CID 118132069

IUPACN-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine
SMILESCNP(=Nc1cccc2cccc(N=P(N(C)C)(N(C)C)N(C)C)c12)(NC)N(C)C
InChIInChI=1S/C20H38N8P2/c1-21-29(22-2,25(3)4)23-18-15-11-13-17-14-12-16-19(20(17)18)24-30(26(5)6,27(7)8)28(9)10/h11-16,21-22H,1-10H3
InChIKeyAFJRPXPHGNZYGP-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.68
Rot. Bonds8

About N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine

N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine (PubChem CID 118132069) has the molecular formula C20H38N8P2 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine.

Molecular Properties

Compound NameN-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine
PubChem CID118132069
Molecular FormulaC20H38N8P2
Molecular Weight452.53 g/mol
Exact Mass452.27
IUPAC NameN-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine
SMILESCNP(=Nc1cccc2cccc(N=P(N(C)C)(N(C)C)N(C)C)c12)(NC)N(C)C
InChIInChI=1S/C20H38N8P2/c1-21-29(22-2,25(3)4)23-18-15-11-13-17-14-12-16-19(20(17)18)24-30(26(5)6,27(7)8)28(9)10/h11-16,21-22H,1-10H3
InChIKeyAFJRPXPHGNZYGP-UHFFFAOYSA-N
XLogP4.68
TPSA61.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine?
The IUPAC name of N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine (CID 118132069) is N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine.
What is the SMILES notation for N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine?
The canonical SMILES for N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine is CNP(=Nc1cccc2cccc(N=P(N(C)C)(N(C)C)N(C)C)c12)(NC)N(C)C.
What is the InChIKey of N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine?
The InChIKey is AFJRPXPHGNZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N8P2/c1-21-29(22-2,25(3)4)23-18-15-11-13-17-14-12-16-19(20(17)18)24-30(26(5)6,27(7)8)28(9)10/h11-16,21-22H,1-10H3.
What are the key properties of N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine?
N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine has a molecular weight of 452.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine is sourced from PubChem (CID 118132069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).