3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine

C9H21N2OP — CID 145379949

IUPAC3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(P)C(C)C.N#CCCO
InChIInChI=1S/C6H16NP.C3H5NO/c1-5(2)7(8)6(3)4;4-2-1-3-5/h5-6H,8H2,1-4H3;5H,1,3H2
InChIKeyAFFXHMROKPITPH-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.79
Rot. Bonds3

About 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine

3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 145379949) has the molecular formula C9H21N2OP and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID145379949
Molecular FormulaC9H21N2OP
Molecular Weight204.25 g/mol
Exact Mass204.14
IUPAC Name3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(P)C(C)C.N#CCCO
InChIInChI=1S/C6H16NP.C3H5NO/c1-5(2)7(8)6(3)4;4-2-1-3-5/h5-6H,8H2,1-4H3;5H,1,3H2
InChIKeyAFFXHMROKPITPH-UHFFFAOYSA-N
XLogP1.79
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine (CID 145379949) is 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine is CC(C)N(P)C(C)C.N#CCCO.
What is the InChIKey of 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is AFFXHMROKPITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NP.C3H5NO/c1-5(2)7(8)6(3)4;4-2-1-3-5/h5-6H,8H2,1-4H3;5H,1,3H2.
What are the key properties of 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine?
3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 204.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanenitrile;N-phosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 145379949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).