2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine

C17H20N2O — CID 115506373

IUPAC2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc2ccc(OC)cc12)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-20-15-8-7-13-5-4-6-14(16(13)12-15)11-17(18)19-9-2-3-10-19/h4-8,12,18H,2-3,9-11H2,1H3/b18-17-
InChIKeyYGAOIFJVRQALBQ-ZCXUNETKSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds3

About 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine

2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine (PubChem CID 115506373) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine
PubChem CID115506373
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc2ccc(OC)cc12)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-20-15-8-7-13-5-4-6-14(16(13)12-15)11-17(18)19-9-2-3-10-19/h4-8,12,18H,2-3,9-11H2,1H3/b18-17-
InChIKeyYGAOIFJVRQALBQ-ZCXUNETKSA-N
XLogP3.46
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
CID 115506313
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone
CID 166238550
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
2-phenyl-1-pyrrolidin-1-ylethanimine
CID 54561938
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
1-[(1R,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-(7-methoxynaphthalen-1-yl)ethanone
CID 99108051
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine (CID 115506373) is 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine is [H]/N=C(/Cc1cccc2ccc(OC)cc12)N1CCCC1.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine?
The InChIKey is YGAOIFJVRQALBQ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-15-8-7-13-5-4-6-14(16(13)12-15)11-17(18)19-9-2-3-10-19/h4-8,12,18H,2-3,9-11H2,1H3/b18-17-.
What are the key properties of 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine?
2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine has a molecular weight of 268.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 115506373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).