N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline

C18H30N2O — CID 64584279

IUPACN-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCCCN(CC1CCC(CNCC)O1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-5-13-20(16-9-7-6-8-10-16)15-18-12-11-17(21-18)14-19-4-2/h6-10,17-19H,3-5,11-15H2,1-2H3
InChIKeySFTQDRIRSXHXTQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds9

About N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline

N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 64584279) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID64584279
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCCCN(CC1CCC(CNCC)O1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-5-13-20(16-9-7-6-8-10-16)15-18-12-11-17(21-18)14-19-4-2/h6-10,17-19H,3-5,11-15H2,1-2H3
InChIKeySFTQDRIRSXHXTQ-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline (CID 64584279) is N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline is CCCCN(CC1CCC(CNCC)O1)c1ccccc1.
What is the InChIKey of N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is SFTQDRIRSXHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-13-20(16-9-7-6-8-10-16)15-18-12-11-17(21-18)14-19-4-2/h6-10,17-19H,3-5,11-15H2,1-2H3.
What are the key properties of N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline?
N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 64584279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).