(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine

C24H35NP2 — CID 138466209

IUPAC(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(CC)CC)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H35NP2/c1-4-7-20-25(26(5-2)6-3)27-23(21-14-10-8-11-15-21)18-19-24(27)22-16-12-9-13-17-22/h8-17,23-24H,4-7,18-20H2,1-3H3/t23-,24-/m0/s1
InChIKeyKYPVFOVJWNKWFD-ZEQRLZLVSA-N
MW399.50 g/mol
LogP8.20
Rot. Bonds9

About (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine

(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine (PubChem CID 138466209) has the molecular formula C24H35NP2 and a molecular weight of 399.50 g/mol. Its IUPAC name is (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
PubChem CID138466209
Molecular FormulaC24H35NP2
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(CC)CC)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H35NP2/c1-4-7-20-25(26(5-2)6-3)27-23(21-14-10-8-11-15-21)18-19-24(27)22-16-12-9-13-17-22/h8-17,23-24H,4-7,18-20H2,1-3H3/t23-,24-/m0/s1
InChIKeyKYPVFOVJWNKWFD-ZEQRLZLVSA-N
XLogP8.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 58.20
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-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
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-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
CID 134343988
(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
CID 157448655
(2R,5R)-N-butyl-N-[(3-tert-butyl-4-methoxyphenyl)-(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 162243387
(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
CID 148956825
(2S,5S)-N-[(2R)-butan-2-yl]-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344316

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine (CID 138466209) is (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine is CCCCN(P(CC)CC)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine?
The InChIKey is KYPVFOVJWNKWFD-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H35NP2/c1-4-7-20-25(26(5-2)6-3)27-23(21-14-10-8-11-15-21)18-19-24(27)22-16-12-9-13-17-22/h8-17,23-24H,4-7,18-20H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine?
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine has a molecular weight of 399.50 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 138466209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).