N-[bis(methylamino)phosphoryl]methanamine

C18H72N18O6P6 — CID 158650881

IUPACN-[bis(methylamino)phosphoryl]methanamine
SMILESCNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC
InChIInChI=1S/6C3H12N3OP/c6*1-4-8(7,5-2)6-3/h6*1-3H3,(H3,4,5,6,7)
InChIKeyIBNQSWKJEBUSIE-UHFFFAOYSA-N
MW822.74 g/mol
LogP-1.48
Rot. Bonds18

About N-[bis(methylamino)phosphoryl]methanamine

N-[bis(methylamino)phosphoryl]methanamine (PubChem CID 158650881) has the molecular formula C18H72N18O6P6 and a molecular weight of 822.74 g/mol. Its IUPAC name is N-[bis(methylamino)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[bis(methylamino)phosphoryl]methanamine
PubChem CID158650881
Molecular FormulaC18H72N18O6P6
Molecular Weight822.74 g/mol
Exact Mass822.43
IUPAC NameN-[bis(methylamino)phosphoryl]methanamine
SMILESCNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC
InChIInChI=1S/6C3H12N3OP/c6*1-4-8(7,5-2)6-3/h6*1-3H3,(H3,4,5,6,7)
InChIKeyIBNQSWKJEBUSIE-UHFFFAOYSA-N
XLogP-1.48
TPSA318.96 Ų
H-Bond Donors18
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.74
LogP ≤ 5-1.48
H-Bond Donors ≤ 518
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-[bis(methylamino)phosphoryl]methanamine?
The IUPAC name of N-[bis(methylamino)phosphoryl]methanamine (CID 158650881) is N-[bis(methylamino)phosphoryl]methanamine.
What is the SMILES notation for N-[bis(methylamino)phosphoryl]methanamine?
The canonical SMILES for N-[bis(methylamino)phosphoryl]methanamine is CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.CNP(=O)(NC)NC.
What is the InChIKey of N-[bis(methylamino)phosphoryl]methanamine?
The InChIKey is IBNQSWKJEBUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H12N3OP/c6*1-4-8(7,5-2)6-3/h6*1-3H3,(H3,4,5,6,7).
What are the key properties of N-[bis(methylamino)phosphoryl]methanamine?
N-[bis(methylamino)phosphoryl]methanamine has a molecular weight of 822.74 g/mol, XLogP of -1.48, 18 rotatable bonds, 18 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylamino)phosphoryl]methanamine is sourced from PubChem (CID 158650881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).