(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine

C32H35NP2 — CID 134344316

IUPAC(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCC[C@@H](C)N(P(c1ccccc1)c1ccccc1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H35NP2/c1-3-26(2)33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28/h4-23,26,31-32H,3,24-25H2,1-2H3/t26-,31+,32+/m1/s1
InChIKeyXHYPTAZLTQHRTG-GWTOPCPNSA-N
MW495.59 g/mol
LogP8.81
Rot. Bonds8

About (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine

(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine (PubChem CID 134344316) has the molecular formula C32H35NP2 and a molecular weight of 495.59 g/mol. Its IUPAC name is (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
PubChem CID134344316
Molecular FormulaC32H35NP2
Molecular Weight495.59 g/mol
Exact Mass495.22
IUPAC Name(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCC[C@@H](C)N(P(c1ccccc1)c1ccccc1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H35NP2/c1-3-26(2)33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28/h4-23,26,31-32H,3,24-25H2,1-2H3/t26-,31+,32+/m1/s1
InChIKeyXHYPTAZLTQHRTG-GWTOPCPNSA-N
XLogP8.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
CID 134343988
(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466221
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466209
(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
CID 148956825
N-ethyl-2,5-diphenylphospholan-1-amine
CID 140850108
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
CID 140850176
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine (CID 134344316) is (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine is CC[C@@H](C)N(P(c1ccccc1)c1ccccc1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
The InChIKey is XHYPTAZLTQHRTG-GWTOPCPNSA-N. The full InChI is InChI=1S/C32H35NP2/c1-3-26(2)33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28/h4-23,26,31-32H,3,24-25H2,1-2H3/t26-,31+,32+/m1/s1.
What are the key properties of (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine?
(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine has a molecular weight of 495.59 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 134344316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).