bis(diphenylphosphane);propan-2-amine

C27H31NP2 — CID 87832419

IUPACbis(diphenylphosphane);propan-2-amine
SMILESCC(C)N.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C3H9N/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2)4/h2*1-10,13H;3H,4H2,1-2H3
InChIKeyAWVVUNSVUXFNGI-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.99
Rot. Bonds4

About bis(diphenylphosphane);propan-2-amine

bis(diphenylphosphane);propan-2-amine (PubChem CID 87832419) has the molecular formula C27H31NP2 and a molecular weight of 431.50 g/mol. Its IUPAC name is bis(diphenylphosphane);propan-2-amine.

Molecular Properties

Compound Namebis(diphenylphosphane);propan-2-amine
PubChem CID87832419
Molecular FormulaC27H31NP2
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC Namebis(diphenylphosphane);propan-2-amine
SMILESCC(C)N.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C3H9N/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2)4/h2*1-10,13H;3H,4H2,1-2H3
InChIKeyAWVVUNSVUXFNGI-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphane);propan-2-amine?
The IUPAC name of bis(diphenylphosphane);propan-2-amine (CID 87832419) is bis(diphenylphosphane);propan-2-amine.
What is the SMILES notation for bis(diphenylphosphane);propan-2-amine?
The canonical SMILES for bis(diphenylphosphane);propan-2-amine is CC(C)N.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphane);propan-2-amine?
The InChIKey is AWVVUNSVUXFNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11P.C3H9N/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2)4/h2*1-10,13H;3H,4H2,1-2H3.
What are the key properties of bis(diphenylphosphane);propan-2-amine?
bis(diphenylphosphane);propan-2-amine has a molecular weight of 431.50 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphane);propan-2-amine is sourced from PubChem (CID 87832419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).