N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine

C15H28N2O — CID 123437401

IUPACN-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine
SMILESCCCC1CCCCC1=NN1CCCC1COC
InChIInChI=1S/C15H28N2O/c1-3-7-13-8-4-5-10-15(13)16-17-11-6-9-14(17)12-18-2/h13-14H,3-12H2,1-2H3
InChIKeyCOPWFXMTVUICPL-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.44
Rot. Bonds5

About N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine

N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine (PubChem CID 123437401) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine
PubChem CID123437401
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine
SMILESCCCC1CCCCC1=NN1CCCC1COC
InChIInChI=1S/C15H28N2O/c1-3-7-13-8-4-5-10-15(13)16-17-11-6-9-14(17)12-18-2/h13-14H,3-12H2,1-2H3
InChIKeyCOPWFXMTVUICPL-UHFFFAOYSA-N
XLogP3.44
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-2-propylcyclohexan-1-imine?
The IUPAC name of N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine (CID 123437401) is N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine.
What is the SMILES notation for N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine?
The canonical SMILES for N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine is CCCC1CCCCC1=NN1CCCC1COC.
What is the InChIKey of N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine?
The InChIKey is COPWFXMTVUICPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-7-13-8-4-5-10-15(13)16-17-11-6-9-14(17)12-18-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine?
N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine has a molecular weight of 252.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-propylcyclohexan-1-imine is sourced from PubChem (CID 123437401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).