(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine

C32H33NP2 — CID 138466221

IUPAC(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESc1ccc([C@@H]2CC[C@@H](c3ccccc3)P2N(C2CCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NP2/c1-5-14-26(15-6-1)31-24-25-32(27-16-7-2-8-17-27)35(31)33(28-18-13-19-28)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,14-17,20-23,28,31-32H,13,18-19,24-25H2/t31-,32-/m0/s1
InChIKeyQDLATQCCURLPCI-ACHIHNKUSA-N
MW493.57 g/mol
LogP8.56
Rot. Bonds7

About (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine

(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine (PubChem CID 138466221) has the molecular formula C32H33NP2 and a molecular weight of 493.57 g/mol. Its IUPAC name is (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
PubChem CID138466221
Molecular FormulaC32H33NP2
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESc1ccc([C@@H]2CC[C@@H](c3ccccc3)P2N(C2CCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NP2/c1-5-14-26(15-6-1)31-24-25-32(27-16-7-2-8-17-27)35(31)33(28-18-13-19-28)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,14-17,20-23,28,31-32H,13,18-19,24-25H2/t31-,32-/m0/s1
InChIKeyQDLATQCCURLPCI-ACHIHNKUSA-N
XLogP8.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 58.56
H-Bond Donors ≤ 50
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 (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine (CID 138466221) is (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine is c1ccc([C@@H]2CC[C@@H](c3ccccc3)P2N(C2CCC2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The InChIKey is QDLATQCCURLPCI-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H33NP2/c1-5-14-26(15-6-1)31-24-25-32(27-16-7-2-8-17-27)35(31)33(28-18-13-19-28)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,14-17,20-23,28,31-32H,13,18-19,24-25H2/t31-,32-/m0/s1.
What are the key properties of (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine has a molecular weight of 493.57 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 138466221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).