N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine

C20H42N2O2 — CID 159188396

IUPACN-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CCCCO1.CCN(CC)C[C@H]1CCCCO1
InChIInChI=1S/2C10H21NO/c2*1-3-11(4-2)9-10-7-5-6-8-12-10/h2*10H,3-9H2,1-2H3/t2*10-/m10/s1
InChIKeyKNTWHBSIWSWAGQ-FTYBWHBYSA-N
MW342.57 g/mol
LogP3.79
Rot. Bonds8

About N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine

N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine (PubChem CID 159188396) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
PubChem CID159188396
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC NameN-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CCCCO1.CCN(CC)C[C@H]1CCCCO1
InChIInChI=1S/2C10H21NO/c2*1-3-11(4-2)9-10-7-5-6-8-12-10/h2*10H,3-9H2,1-2H3/t2*10-/m10/s1
InChIKeyKNTWHBSIWSWAGQ-FTYBWHBYSA-N
XLogP3.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidinium, 3,3'-(tetradecamethylenedioxy)bis(1,1-dimethyl-, dibromide
CID 3056630
1-(2-Methoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53530223
Tetrahydropyranyl trimethylamine
CID 14913717
1-((tetrahydro-2H-pyran-2-yl)methyl)piperidine
CID 91362714
2,6-Dimethyl-4-(oxan-2-ylmethyl)morpholine
CID 45794513
2,2-Dimethyl-4-(oxan-2-ylmethyl)morpholine
CID 53514669
2,5-Dimethyl-4-(oxan-2-ylmethyl)morpholine
CID 53514713
3,1-Dimethylpiperidinium] dibromide
CID 24181053
4-Ethyl-4-[6-(4-ethylmorpholin-4-ium-4-yl)hexyl]morpholin-4-ium
CID 116276
4-Methyl-4-[6-(4-methylmorpholin-4-ium-4-yl)hexyl]morpholin-4-ium
CID 116278
3-[14-(1,1-Dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethylpiperidin-1-ium
CID 407341
1,4-Bis(tetrahydro-2H-pyran-2-ylmethyl)piperazine dihydrochloride
CID 16206893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine (CID 159188396) is N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine is CCN(CC)C[C@@H]1CCCCO1.CCN(CC)C[C@H]1CCCCO1.
What is the InChIKey of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The InChIKey is KNTWHBSIWSWAGQ-FTYBWHBYSA-N. The full InChI is InChI=1S/2C10H21NO/c2*1-3-11(4-2)9-10-7-5-6-8-12-10/h2*10H,3-9H2,1-2H3/t2*10-/m10/s1.
What are the key properties of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine has a molecular weight of 342.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine;N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine is sourced from PubChem (CID 159188396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).