(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine

C17H24N2O — CID 122519285

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C17H24N2O/c1-13-8-9-16-14(11-13)5-3-7-17(16)18-19-10-4-6-15(19)12-20-2/h8-9,11,15H,3-7,10,12H2,1-2H3/b18-17+/t15-/m0/s1
InChIKeyQMHHFLBRVWTHIO-HEWTWTGNSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds3

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 122519285) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID122519285
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C17H24N2O/c1-13-8-9-16-14(11-13)5-3-7-17(16)18-19-10-4-6-15(19)12-20-2/h8-9,11,15H,3-7,10,12H2,1-2H3/b18-17+/t15-/m0/s1
InChIKeyQMHHFLBRVWTHIO-HEWTWTGNSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11831731
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol
CID 15488716
(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
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylbutan-1-imine
CID 134866380
(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine
CID 134875177
[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
CID 134877539
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine (CID 122519285) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine is COC[C@@H]1CCCN1/N=C1\CCCc2cc(C)ccc21.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is QMHHFLBRVWTHIO-HEWTWTGNSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-8-9-16-14(11-13)5-3-7-17(16)18-19-10-4-6-15(19)12-20-2/h8-9,11,15H,3-7,10,12H2,1-2H3/b18-17+/t15-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 272.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 122519285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).