N-dimethoxyphosphorylprop-2-yn-1-amine

C5H10NO3P — CID 102525116

IUPACN-dimethoxyphosphorylprop-2-yn-1-amine
SMILESC#CCNP(=O)(OC)OC
InChIInChI=1S/C5H10NO3P/c1-4-5-6-10(7,8-2)9-3/h1H,5H2,2-3H3,(H,6,7)
InChIKeyCINYPRJARYMZDX-UHFFFAOYSA-N
MW163.11 g/mol
LogP0.61
Rot. Bonds4

About N-dimethoxyphosphorylprop-2-yn-1-amine

N-dimethoxyphosphorylprop-2-yn-1-amine (PubChem CID 102525116) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is N-dimethoxyphosphorylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-dimethoxyphosphorylprop-2-yn-1-amine
PubChem CID102525116
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC NameN-dimethoxyphosphorylprop-2-yn-1-amine
SMILESC#CCNP(=O)(OC)OC
InChIInChI=1S/C5H10NO3P/c1-4-5-6-10(7,8-2)9-3/h1H,5H2,2-3H3,(H,6,7)
InChIKeyCINYPRJARYMZDX-UHFFFAOYSA-N
XLogP0.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphorylprop-2-yn-1-amine?
The IUPAC name of N-dimethoxyphosphorylprop-2-yn-1-amine (CID 102525116) is N-dimethoxyphosphorylprop-2-yn-1-amine.
What is the SMILES notation for N-dimethoxyphosphorylprop-2-yn-1-amine?
The canonical SMILES for N-dimethoxyphosphorylprop-2-yn-1-amine is C#CCNP(=O)(OC)OC.
What is the InChIKey of N-dimethoxyphosphorylprop-2-yn-1-amine?
The InChIKey is CINYPRJARYMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-4-5-6-10(7,8-2)9-3/h1H,5H2,2-3H3,(H,6,7).
What are the key properties of N-dimethoxyphosphorylprop-2-yn-1-amine?
N-dimethoxyphosphorylprop-2-yn-1-amine has a molecular weight of 163.11 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphorylprop-2-yn-1-amine is sourced from PubChem (CID 102525116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).