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

C10H22N2O — CID 124854325

IUPACN-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNC[C@@H]1CC[C@@H](CNCC)O1
InChIInChI=1S/C10H22N2O/c1-3-11-7-9-5-6-10(13-9)8-12-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyXALUGZOMMFVRAF-UWVGGRQHSA-N
MW186.30 g/mol
LogP0.75
Rot. Bonds6

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

N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 124854325) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID124854325
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNC[C@@H]1CC[C@@H](CNCC)O1
InChIInChI=1S/C10H22N2O/c1-3-11-7-9-5-6-10(13-9)8-12-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyXALUGZOMMFVRAF-UWVGGRQHSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55069730
(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol
CID 148861942
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82005894
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663
N-(oxetan-2-ylmethyl)ethanamine
CID 89405664
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665945
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
4-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methylcyclohexan-1-amine
CID 62412851
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82754260

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine (CID 124854325) is N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine is CCNC[C@@H]1CC[C@@H](CNCC)O1.
What is the InChIKey of N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is XALUGZOMMFVRAF-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-11-7-9-5-6-10(13-9)8-12-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine?
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 124854325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).