N-methyl-N'-phosphorosoethane-1,2-diamine

C3H9N2OP — CID 163531883

IUPACN-methyl-N'-phosphorosoethane-1,2-diamine
SMILESCNCCNP=O
InChIInChI=1S/C3H9N2OP/c1-4-2-3-5-7-6/h4H,2-3H2,1H3,(H,5,6)
InChIKeyDTRJBJRHXHNRTQ-UHFFFAOYSA-N
MW120.09 g/mol
LogP0.00
Rot. Bonds4

About N-methyl-N'-phosphorosoethane-1,2-diamine

N-methyl-N'-phosphorosoethane-1,2-diamine (PubChem CID 163531883) has the molecular formula C3H9N2OP and a molecular weight of 120.09 g/mol. Its IUPAC name is N-methyl-N'-phosphorosoethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-phosphorosoethane-1,2-diamine
PubChem CID163531883
Molecular FormulaC3H9N2OP
Molecular Weight120.09 g/mol
Exact Mass120.05
IUPAC NameN-methyl-N'-phosphorosoethane-1,2-diamine
SMILESCNCCNP=O
InChIInChI=1S/C3H9N2OP/c1-4-2-3-5-7-6/h4H,2-3H2,1H3,(H,5,6)
InChIKeyDTRJBJRHXHNRTQ-UHFFFAOYSA-N
XLogP0.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-phosphorosoethane-1,2-diamine?
The IUPAC name of N-methyl-N'-phosphorosoethane-1,2-diamine (CID 163531883) is N-methyl-N'-phosphorosoethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-phosphorosoethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-phosphorosoethane-1,2-diamine is CNCCNP=O.
What is the InChIKey of N-methyl-N'-phosphorosoethane-1,2-diamine?
The InChIKey is DTRJBJRHXHNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2OP/c1-4-2-3-5-7-6/h4H,2-3H2,1H3,(H,5,6).
What are the key properties of N-methyl-N'-phosphorosoethane-1,2-diamine?
N-methyl-N'-phosphorosoethane-1,2-diamine has a molecular weight of 120.09 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-phosphorosoethane-1,2-diamine is sourced from PubChem (CID 163531883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).