N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate

C7H19N4O2P — CID 162006564

IUPACN-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate
SMILESCN(C)/C(N)=N/CC(=O)OP.CNC
InChIInChI=1S/C5H12N3O2P.C2H7N/c1-8(2)5(6)7-3-4(9)10-11;1-3-2/h3,11H2,1-2H3,(H2,6,7);3H,1-2H3
InChIKeyYSXJGOSUUZKOCC-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.97
Rot. Bonds2

About N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate

N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate (PubChem CID 162006564) has the molecular formula C7H19N4O2P and a molecular weight of 222.23 g/mol. Its IUPAC name is N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate.

Molecular Properties

Compound NameN-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate
PubChem CID162006564
Molecular FormulaC7H19N4O2P
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate
SMILESCN(C)/C(N)=N/CC(=O)OP.CNC
InChIInChI=1S/C5H12N3O2P.C2H7N/c1-8(2)5(6)7-3-4(9)10-11;1-3-2/h3,11H2,1-2H3,(H2,6,7);3H,1-2H3
InChIKeyYSXJGOSUUZKOCC-UHFFFAOYSA-N
XLogP-0.97
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate?
The IUPAC name of N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate (CID 162006564) is N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate.
What is the SMILES notation for N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate?
The canonical SMILES for N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate is CN(C)/C(N)=N/CC(=O)OP.CNC.
What is the InChIKey of N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate?
The InChIKey is YSXJGOSUUZKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3O2P.C2H7N/c1-8(2)5(6)7-3-4(9)10-11;1-3-2/h3,11H2,1-2H3,(H2,6,7);3H,1-2H3.
What are the key properties of N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate?
N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate has a molecular weight of 222.23 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate is sourced from PubChem (CID 162006564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).