[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile

C7H15N2O2P — CID 524297

IUPAC[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile
SMILESCCC(C)OP(=O)(C#N)N(C)C
InChIInChI=1S/C7H15N2O2P/c1-5-7(2)11-12(10,6-8)9(3)4/h7H,5H2,1-4H3
InChIKeyMNNZKDXMTXPOGG-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.04
Rot. Bonds4

About [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile

[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile (PubChem CID 524297) has the molecular formula C7H15N2O2P and a molecular weight of 190.18 g/mol. Its IUPAC name is [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile.

Molecular Properties

Compound Name[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile
PubChem CID524297
Molecular FormulaC7H15N2O2P
Molecular Weight190.18 g/mol
Exact Mass190.09
IUPAC Name[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile
SMILESCCC(C)OP(=O)(C#N)N(C)C
InChIInChI=1S/C7H15N2O2P/c1-5-7(2)11-12(10,6-8)9(3)4/h7H,5H2,1-4H3
InChIKeyMNNZKDXMTXPOGG-UHFFFAOYSA-N
XLogP2.04
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile?
The IUPAC name of [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile (CID 524297) is [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile.
What is the SMILES notation for [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile?
The canonical SMILES for [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile is CCC(C)OP(=O)(C#N)N(C)C.
What is the InChIKey of [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile?
The InChIKey is MNNZKDXMTXPOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O2P/c1-5-7(2)11-12(10,6-8)9(3)4/h7H,5H2,1-4H3.
What are the key properties of [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile?
[butan-2-yloxy(dimethylamino)phosphoryl]formonitrile has a molecular weight of 190.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yloxy(dimethylamino)phosphoryl]formonitrile is sourced from PubChem (CID 524297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).