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

C22H44N8P4 — CID 87078255

IUPACN-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine
SMILESCNP(N=P(C)(c1cccc2cccc(P(C)(=NP(NC)N(C)C)N(C)C)c12)N(C)C)N(C)C
InChIInChI=1S/C22H44N8P4/c1-23-31(27(3)4)25-33(11,29(7)8)20-17-13-15-19-16-14-18-21(22(19)20)34(12,30(9)10)26-32(24-2)28(5)6/h13-18,23-24H,1-12H3
InChIKeyLWWMNPRLLAVTSF-UHFFFAOYSA-N
MW544.55 g/mol
LogP4.72
Rot. Bonds10

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

N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine (PubChem CID 87078255) has the molecular formula C22H44N8P4 and a molecular weight of 544.55 g/mol. Its IUPAC name is N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine.

Molecular Properties

Compound NameN-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine
PubChem CID87078255
Molecular FormulaC22H44N8P4
Molecular Weight544.55 g/mol
Exact Mass544.26
IUPAC NameN-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine
SMILESCNP(N=P(C)(c1cccc2cccc(P(C)(=NP(NC)N(C)C)N(C)C)c12)N(C)C)N(C)C
InChIInChI=1S/C22H44N8P4/c1-23-31(27(3)4)25-33(11,29(7)8)20-17-13-15-19-16-14-18-21(22(19)20)34(12,30(9)10)26-32(24-2)28(5)6/h13-18,23-24H,1-12H3
InChIKeyLWWMNPRLLAVTSF-UHFFFAOYSA-N
XLogP4.72
TPSA61.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
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-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine?
The IUPAC name of N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine (CID 87078255) is N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine.
What is the SMILES notation for N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine?
The canonical SMILES for N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine is CNP(N=P(C)(c1cccc2cccc(P(C)(=NP(NC)N(C)C)N(C)C)c12)N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine?
The InChIKey is LWWMNPRLLAVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N8P4/c1-23-31(27(3)4)25-33(11,29(7)8)20-17-13-15-19-16-14-18-21(22(19)20)34(12,30(9)10)26-32(24-2)28(5)6/h13-18,23-24H,1-12H3.
What are the key properties of N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine?
N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine has a molecular weight of 544.55 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-λ5-phosphanyl]naphthalen-1-yl]-methyl-λ5-phosphanylidene]amino]phosphanyl]methanamine is sourced from PubChem (CID 87078255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).