N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine

C18H28N4O3P2 — CID 12652581

IUPACN-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=NP(=O)(Oc1ccccc1)Oc1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C18H28N4O3P2/c1-20(2)26(21(3)4,22(5)6)19-27(23,24-17-13-9-7-10-14-17)25-18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyOMBRUVRQWHPZNV-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.88
Rot. Bonds8

About N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine

N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 12652581) has the molecular formula C18H28N4O3P2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine
PubChem CID12652581
Molecular FormulaC18H28N4O3P2
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=NP(=O)(Oc1ccccc1)Oc1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C18H28N4O3P2/c1-20(2)26(21(3)4,22(5)6)19-27(23,24-17-13-9-7-10-14-17)25-18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyOMBRUVRQWHPZNV-UHFFFAOYSA-N
XLogP4.88
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine (CID 12652581) is N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=NP(=O)(Oc1ccccc1)Oc1ccccc1)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is OMBRUVRQWHPZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3P2/c1-20(2)26(21(3)4,22(5)6)19-27(23,24-17-13-9-7-10-14-17)25-18-15-11-8-12-16-18/h7-16H,1-6H3.
What are the key properties of N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 410.40 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 12652581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).