N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline

C17H28N2O — CID 62440143

IUPACN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
SMILESCN(CC1CCC(CNC(C)(C)C)O1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-10-11-16(20-15)13-19(4)14-8-6-5-7-9-14/h5-9,15-16,18H,10-13H2,1-4H3
InChIKeyVRSWKYJHJVXXOJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds5

About N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline

N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline (PubChem CID 62440143) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
PubChem CID62440143
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
SMILESCN(CC1CCC(CNC(C)(C)C)O1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-10-11-16(20-15)13-19(4)14-8-6-5-7-9-14/h5-9,15-16,18H,10-13H2,1-4H3
InChIKeyVRSWKYJHJVXXOJ-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline (CID 62440143) is N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline is CN(CC1CCC(CNC(C)(C)C)O1)c1ccccc1.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline?
The InChIKey is VRSWKYJHJVXXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-12-15-10-11-16(20-15)13-19(4)14-8-6-5-7-9-14/h5-9,15-16,18H,10-13H2,1-4H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline?
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline is sourced from PubChem (CID 62440143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).