N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline

C17H26N2O — CID 62423255

IUPACN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline
SMILESCCN(CC1CCC(CNC2CC2)O1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-19(15-6-4-3-5-7-15)13-17-11-10-16(20-17)12-18-14-8-9-14/h3-7,14,16-18H,2,8-13H2,1H3
InChIKeyFJPNKQIYIFMLKK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds7

About N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline

N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline (PubChem CID 62423255) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline
PubChem CID62423255
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline
SMILESCCN(CC1CCC(CNC2CC2)O1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-19(15-6-4-3-5-7-15)13-17-11-10-16(20-17)12-18-14-8-9-14/h3-7,14,16-18H,2,8-13H2,1H3
InChIKeyFJPNKQIYIFMLKK-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline (CID 62423255) is N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline is CCN(CC1CCC(CNC2CC2)O1)c1ccccc1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline?
The InChIKey is FJPNKQIYIFMLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(15-6-4-3-5-7-15)13-17-11-10-16(20-17)12-18-14-8-9-14/h3-7,14,16-18H,2,8-13H2,1H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline?
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline has a molecular weight of 274.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline is sourced from PubChem (CID 62423255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).