N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline

C17H26N2O — CID 62259574

IUPACN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2(CNC3CC3)CCOC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(10-14)19(2)12-17(8-9-20-13-17)11-18-15-6-7-15/h3-5,10,15,18H,6-9,11-13H2,1-2H3
InChIKeyZUBZFIWIXQSRJA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds6

About N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline

N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline (PubChem CID 62259574) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline
PubChem CID62259574
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2(CNC3CC3)CCOC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(10-14)19(2)12-17(8-9-20-13-17)11-18-15-6-7-15/h3-5,10,15,18H,6-9,11-13H2,1-2H3
InChIKeyZUBZFIWIXQSRJA-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline (CID 62259574) is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline is Cc1cccc(N(C)CC2(CNC3CC3)CCOC2)c1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline?
The InChIKey is ZUBZFIWIXQSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-3-5-16(10-14)19(2)12-17(8-9-20-13-17)11-18-15-6-7-15/h3-5,10,15,18H,6-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline?
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline has a molecular weight of 274.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).