N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine

C13H28N2O — CID 91411938

IUPACN-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine
SMILESCCCCC(C)(C)N1COCC1CNCC
InChIInChI=1S/C13H28N2O/c1-5-7-8-13(3,4)15-11-16-10-12(15)9-14-6-2/h12,14H,5-11H2,1-4H3
InChIKeyINSKIATYEWIUGW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.22
Rot. Bonds7

About N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine

N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine (PubChem CID 91411938) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine
PubChem CID91411938
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine
SMILESCCCCC(C)(C)N1COCC1CNCC
InChIInChI=1S/C13H28N2O/c1-5-7-8-13(3,4)15-11-16-10-12(15)9-14-6-2/h12,14H,5-11H2,1-4H3
InChIKeyINSKIATYEWIUGW-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
5-(2-Methoxyethyl)-2,5-diazaspiro[3.4]octane
CID 155822342
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
CID 43180040
4-(5,5-Dimethyl-3-pyrrolidinyl)morpholine
CID 53654667
2,2-Diethyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 57623271
3-[1-(2-Methoxyethyl)pyrrolidin-2-yl]pentan-3-amine
CID 57922420
1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine
CID 58364938
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 58858738
2-ethoxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine
CID 58858778
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 58858781
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 58858787
1-[1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 61567933

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine (CID 91411938) is N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine is CCCCC(C)(C)N1COCC1CNCC.
What is the InChIKey of N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine?
The InChIKey is INSKIATYEWIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-8-13(3,4)15-11-16-10-12(15)9-14-6-2/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine?
N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 91411938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).