N'-dimethylphosphoryl-N-methylethane-1,2-diamine

C5H15N2OP — CID 162723512

IUPACN'-dimethylphosphoryl-N-methylethane-1,2-diamine
SMILESCNCCNP(C)(C)=O
InChIInChI=1S/C5H15N2OP/c1-6-4-5-7-9(2,3)8/h6H,4-5H2,1-3H3,(H,7,8)
InChIKeyXZVISQWWWBXRRR-UHFFFAOYSA-N
MW150.16 g/mol
LogP0.33
Rot. Bonds4

About N'-dimethylphosphoryl-N-methylethane-1,2-diamine

N'-dimethylphosphoryl-N-methylethane-1,2-diamine (PubChem CID 162723512) has the molecular formula C5H15N2OP and a molecular weight of 150.16 g/mol. Its IUPAC name is N'-dimethylphosphoryl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-dimethylphosphoryl-N-methylethane-1,2-diamine
PubChem CID162723512
Molecular FormulaC5H15N2OP
Molecular Weight150.16 g/mol
Exact Mass150.09
IUPAC NameN'-dimethylphosphoryl-N-methylethane-1,2-diamine
SMILESCNCCNP(C)(C)=O
InChIInChI=1S/C5H15N2OP/c1-6-4-5-7-9(2,3)8/h6H,4-5H2,1-3H3,(H,7,8)
InChIKeyXZVISQWWWBXRRR-UHFFFAOYSA-N
XLogP0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.33
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'-dimethylphosphoryl-N-methylethane-1,2-diamine?
The IUPAC name of N'-dimethylphosphoryl-N-methylethane-1,2-diamine (CID 162723512) is N'-dimethylphosphoryl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-dimethylphosphoryl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-dimethylphosphoryl-N-methylethane-1,2-diamine is CNCCNP(C)(C)=O.
What is the InChIKey of N'-dimethylphosphoryl-N-methylethane-1,2-diamine?
The InChIKey is XZVISQWWWBXRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2OP/c1-6-4-5-7-9(2,3)8/h6H,4-5H2,1-3H3,(H,7,8).
What are the key properties of N'-dimethylphosphoryl-N-methylethane-1,2-diamine?
N'-dimethylphosphoryl-N-methylethane-1,2-diamine has a molecular weight of 150.16 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dimethylphosphoryl-N-methylethane-1,2-diamine is sourced from PubChem (CID 162723512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).