N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline

C16H26N2O — CID 55072223

IUPACN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
SMILESCCNCC1CCC(CN(C)c2ccccc2C)O1
InChIInChI=1S/C16H26N2O/c1-4-17-11-14-9-10-15(19-14)12-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyURLUPDUHAMRFOE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.59
Rot. Bonds6

About N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline (PubChem CID 55072223) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
PubChem CID55072223
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
SMILESCCNCC1CCC(CN(C)c2ccccc2C)O1
InChIInChI=1S/C16H26N2O/c1-4-17-11-14-9-10-15(19-14)12-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyURLUPDUHAMRFOE-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
Dimethyl-(4-{[(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenyl)-amine hydrochloride
CID 2960152
Benzenamine, N-(2-methoxyethyl)-2,6-dimethyl-
CID 170858
N-(2-methoxycyclohexyl)-2,5-dimethylaniline
CID 2850171
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
1-(4-Butylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2941776
3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 3239383
2-[(Tetrahydro-2-furanylmethyl)amino]isophthalonitrile
CID 16413661
1-(4-Methylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2897144
(1-Methylpyrrolidin-2-yl)methyl hydrogen (2-methylphenyl)carbonimidate
CID 3032669

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline (CID 55072223) is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline is CCNCC1CCC(CN(C)c2ccccc2C)O1.
What is the InChIKey of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline?
The InChIKey is URLUPDUHAMRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-11-14-9-10-15(19-14)12-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline?
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline has a molecular weight of 262.40 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-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline is sourced from PubChem (CID 55072223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).