3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile

C14H29N2O3P — CID 87149823

IUPAC3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile
SMILESCOC(C)OC(C)OP(CCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O3P/c1-11(2)16(12(3)4)20(10-8-9-15)19-14(6)18-13(5)17-7/h11-14H,8,10H2,1-7H3
InChIKeyMVURXNWTIYEQFD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.70
Rot. Bonds10

About 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile

3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile (PubChem CID 87149823) has the molecular formula C14H29N2O3P and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile
PubChem CID87149823
Molecular FormulaC14H29N2O3P
Molecular Weight304.37 g/mol
Exact Mass304.19
IUPAC Name3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile
SMILESCOC(C)OC(C)OP(CCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O3P/c1-11(2)16(12(3)4)20(10-8-9-15)19-14(6)18-13(5)17-7/h11-14H,8,10H2,1-7H3
InChIKeyMVURXNWTIYEQFD-UHFFFAOYSA-N
XLogP3.70
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile?
The IUPAC name of 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile (CID 87149823) is 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile?
The canonical SMILES for 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile is COC(C)OC(C)OP(CCC#N)N(C(C)C)C(C)C.
What is the InChIKey of 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile?
The InChIKey is MVURXNWTIYEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O3P/c1-11(2)16(12(3)4)20(10-8-9-15)19-14(6)18-13(5)17-7/h11-14H,8,10H2,1-7H3.
What are the key properties of 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile?
3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile has a molecular weight of 304.37 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile is sourced from PubChem (CID 87149823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).