N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine

C16H24N2O2 — CID 135149433

IUPACN-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
SMILESCOCC1CCCN1N=CCCc1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-19-13-15-8-5-11-18(15)17-10-4-7-14-6-3-9-16(12-14)20-2/h3,6,9-10,12,15H,4-5,7-8,11,13H2,1-2H3
InChIKeyWDYAHZXQQHHDAH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine

N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine (PubChem CID 135149433) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
PubChem CID135149433
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
SMILESCOCC1CCCN1N=CCCc1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-19-13-15-8-5-11-18(15)17-10-4-7-14-6-3-9-16(12-14)20-2/h3,6,9-10,12,15H,4-5,7-8,11,13H2,1-2H3
InChIKeyWDYAHZXQQHHDAH-UHFFFAOYSA-N
XLogP2.72
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine?
The IUPAC name of N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine (CID 135149433) is N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine.
What is the SMILES notation for N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine?
The canonical SMILES for N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine is COCC1CCCN1N=CCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine?
The InChIKey is WDYAHZXQQHHDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-13-15-8-5-11-18(15)17-10-4-7-14-6-3-9-16(12-14)20-2/h3,6,9-10,12,15H,4-5,7-8,11,13H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine?
N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine has a molecular weight of 276.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine is sourced from PubChem (CID 135149433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).