N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine

C18H50N8P4 — CID 139922538

IUPACN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine
SMILESCN(C)P(C(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)P(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H50N8P4/c1-19(2)27(20(3)4)17(28(21(5)6)22(7)8)18(29(23(9)10)24(11)12)30(25(13)14)26(15)16/h17-18H,1-16H3
InChIKeyTUVVNJVUDADRCH-UHFFFAOYSA-N
MW502.55 g/mol
LogP3.38
Rot. Bonds13

About N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine

N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine (PubChem CID 139922538) has the molecular formula C18H50N8P4 and a molecular weight of 502.55 g/mol. Its IUPAC name is N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine
PubChem CID139922538
Molecular FormulaC18H50N8P4
Molecular Weight502.55 g/mol
Exact Mass502.31
IUPAC NameN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine
SMILESCN(C)P(C(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)P(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C18H50N8P4/c1-19(2)27(20(3)4)17(28(21(5)6)22(7)8)18(29(23(9)10)24(11)12)30(25(13)14)26(15)16/h17-18H,1-16H3
InChIKeyTUVVNJVUDADRCH-UHFFFAOYSA-N
XLogP3.38
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine
CID 139922545
1-methoxyethylphosphane
CID 18189169
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
dimethylaminomercury
CID 143325098
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
N-[amino(methoxy)phosphanyl]-N-methylmethanamine
CID 118535187
N-methyl-N-propan-2-yloxypropan-2-amine
CID 59658317
[[[azanidyl(methyl)amino]-methoxymethyl]-methylamino]azanide
CID 163646166
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
N-[dimethylamino(methyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 57028842
N-methyl-N-phosphanylmethanamine;phosphane
CID 161234156
CID 6397294
CID 6397294

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine (CID 139922538) is N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine is CN(C)P(C(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)P(N(C)C)N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine?
The InChIKey is TUVVNJVUDADRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H50N8P4/c1-19(2)27(20(3)4)17(28(21(5)6)22(7)8)18(29(23(9)10)24(11)12)30(25(13)14)26(15)16/h17-18H,1-16H3.
What are the key properties of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine?
N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine has a molecular weight of 502.55 g/mol, XLogP of 3.38, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 139922538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).