(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine

C22H28N2 — CID 135077796

IUPAC(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
SMILESCCCCC/C=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C22H28N2/c1-2-3-4-11-18-23-24-21(19-12-7-5-8-13-19)16-17-22(24)20-14-9-6-10-15-20/h5-10,12-15,18,21-22H,2-4,11,16-17H2,1H3/b23-18+/t21-,22-/m0/s1
InChIKeyCXGJWNWTZWGPBK-WMRXMYIESA-N
MW320.48 g/mol
LogP6.13
Rot. Bonds7

About (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine

(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine (PubChem CID 135077796) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
PubChem CID135077796
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
SMILESCCCCC/C=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C22H28N2/c1-2-3-4-11-18-23-24-21(19-12-7-5-8-13-19)16-17-22(24)20-14-9-6-10-15-20/h5-10,12-15,18,21-22H,2-4,11,16-17H2,1H3/b23-18+/t21-,22-/m0/s1
InChIKeyCXGJWNWTZWGPBK-WMRXMYIESA-N
XLogP6.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine with MolForge

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Related Compounds

(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine
CID 11659356
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
[(2E)-2-hexylidenecyclopentyl]benzene
CID 15354301
N-benzyldecan-1-imine
CID 11276634
[(E)-dec-1-enyl]-phenyliodanium
CID 10906117
1-butyl-2-phenylpiperidine
CID 10036306
(E)-1-(2-dicyclohexylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
CID 59052977
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]methanimine
CID 59052700
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
(NE)-N-[(2S,3R,6R)-1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 98645698
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine?
The IUPAC name of (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine (CID 135077796) is (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine.
What is the SMILES notation for (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine?
The canonical SMILES for (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine is CCCCC/C=N/N1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine?
The InChIKey is CXGJWNWTZWGPBK-WMRXMYIESA-N. The full InChI is InChI=1S/C22H28N2/c1-2-3-4-11-18-23-24-21(19-12-7-5-8-13-19)16-17-22(24)20-14-9-6-10-15-20/h5-10,12-15,18,21-22H,2-4,11,16-17H2,1H3/b23-18+/t21-,22-/m0/s1.
What are the key properties of (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine?
(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine has a molecular weight of 320.48 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine is sourced from PubChem (CID 135077796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).