N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine

C12H23NO2 — CID 62457821

IUPACN-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COCC2CC2)O1
InChIInChI=1S/C12H23NO2/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h10-13H,2-9H2,1H3
InChIKeyBYZXSOZSTWYQIN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds7

About N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine

N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 62457821) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID62457821
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COCC2CC2)O1
InChIInChI=1S/C12H23NO2/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h10-13H,2-9H2,1H3
InChIKeyBYZXSOZSTWYQIN-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82005894
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 66321864
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62486552
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62471799

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine (CID 62457821) is N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(COCC2CC2)O1.
What is the InChIKey of N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is BYZXSOZSTWYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62457821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).