N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline

C17H28N2O — CID 63739631

IUPACN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
SMILESCCNCC1(CN(C)c2ccccc2C)CCCOC1
InChIInChI=1S/C17H28N2O/c1-4-18-12-17(10-7-11-20-14-17)13-19(3)16-9-6-5-8-15(16)2/h5-6,8-9,18H,4,7,10-14H2,1-3H3
InChIKeyITPRAGOCILKHFB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline (PubChem CID 63739631) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
PubChem CID63739631
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
SMILESCCNCC1(CN(C)c2ccccc2C)CCCOC1
InChIInChI=1S/C17H28N2O/c1-4-18-12-17(10-7-11-20-14-17)13-19(3)16-9-6-5-8-15(16)2/h5-6,8-9,18H,4,7,10-14H2,1-3H3
InChIKeyITPRAGOCILKHFB-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
CID 63739930
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
CID 62391682
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
CID 63740502
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702
1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
CID 63739464
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline (CID 63739631) is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline is CCNCC1(CN(C)c2ccccc2C)CCCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline?
The InChIKey is ITPRAGOCILKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-12-17(10-7-11-20-14-17)13-19(3)16-9-6-5-8-15(16)2/h5-6,8-9,18H,4,7,10-14H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline?
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline has a molecular weight of 276.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline is sourced from PubChem (CID 63739631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).