(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine

C26H32N2O — CID 134838407

IUPAC(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
SMILESCOC[C@@H]1C[C@@H]2CCC[C@@H]2N1/N=C/c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C26H32N2O/c1-29-18-25-16-23-3-2-4-26(23)28(25)27-17-24-15-21-10-9-19-5-7-20(8-6-19)11-13-22(24)14-12-21/h5-8,12,14-15,17,23,25-26H,2-4,9-11,13,16,18H2,1H3/b27-17+/t23-,25-,26-/m0/s1
InChIKeyDQTUDHRUIDBYRJ-DGGQWYITSA-N
MW388.56 g/mol
LogP4.79
Rot. Bonds4

About (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine

(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine (PubChem CID 134838407) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
PubChem CID134838407
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
SMILESCOC[C@@H]1C[C@@H]2CCC[C@@H]2N1/N=C/c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C26H32N2O/c1-29-18-25-16-23-3-2-4-26(23)28(25)27-17-24-15-21-10-9-19-5-7-20(8-6-19)11-13-22(24)14-12-21/h5-8,12,14-15,17,23,25-26H,2-4,9-11,13,16,18H2,1H3/b27-17+/t23-,25-,26-/m0/s1
InChIKeyDQTUDHRUIDBYRJ-DGGQWYITSA-N
XLogP4.79
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine with MolForge

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Related Compounds

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
CID 134974124
(E)-N-[(2R,3aR,6aR)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
CID 134974164
(E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
CID 134974240
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 122519285
N-[2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 123264139
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 11187600
(E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 11739971
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 21601352
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-naphthalen-2-ylmethanimine
CID 177618332

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The IUPAC name of (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine (CID 134838407) is (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine.
What is the SMILES notation for (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The canonical SMILES for (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine is COC[C@@H]1C[C@@H]2CCC[C@@H]2N1/N=C/c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The InChIKey is DQTUDHRUIDBYRJ-DGGQWYITSA-N. The full InChI is InChI=1S/C26H32N2O/c1-29-18-25-16-23-3-2-4-26(23)28(25)27-17-24-15-21-10-9-19-5-7-20(8-6-19)11-13-22(24)14-12-21/h5-8,12,14-15,17,23,25-26H,2-4,9-11,13,16,18H2,1H3/b27-17+/t23-,25-,26-/m0/s1.
What are the key properties of (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
(E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine has a molecular weight of 388.56 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S,3aS,6aS)-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine is sourced from PubChem (CID 134838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).