(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine

C30H32N2OP2 — CID 139206656

IUPAC(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2OP2/c1-33-25-26-15-14-24-31(26)32(34(27-16-6-2-7-17-27)28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)30-22-12-5-13-23-30/h2-13,16-23,26H,14-15,24-25H2,1H3/t26-/m0/s1
InChIKeySJFKLQADFUVXOY-SANMLTNESA-N
MW498.55 g/mol
LogP5.41
Rot. Bonds9

About (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 139206656) has the molecular formula C30H32N2OP2 and a molecular weight of 498.55 g/mol. Its IUPAC name is (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID139206656
Molecular FormulaC30H32N2OP2
Molecular Weight498.55 g/mol
Exact Mass498.20
IUPAC Name(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2OP2/c1-33-25-26-15-14-24-31(26)32(34(27-16-6-2-7-17-27)28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)30-22-12-5-13-23-30/h2-13,16-23,26H,14-15,24-25H2,1H3/t26-/m0/s1
InChIKeySJFKLQADFUVXOY-SANMLTNESA-N
XLogP5.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 55.41
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 (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine (CID 139206656) is (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine is COC[C@@H]1CCCN1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is SJFKLQADFUVXOY-SANMLTNESA-N. The full InChI is InChI=1S/C30H32N2OP2/c1-33-25-26-15-14-24-31(26)32(34(27-16-6-2-7-17-27)28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)30-22-12-5-13-23-30/h2-13,16-23,26H,14-15,24-25H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 498.55 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(diphenylphosphanyl)-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 139206656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).