2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine

C13H25NO2 — CID 104749361

IUPAC2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
SMILESNC(COCC1CCCCC1)C1CCOC1
InChIInChI=1S/C13H25NO2/c14-13(12-6-7-15-9-12)10-16-8-11-4-2-1-3-5-11/h11-13H,1-10,14H2
InChIKeyYSJSRQYDTSROJI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds5

About 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine

2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104749361) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104749361
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
SMILESNC(COCC1CCCCC1)C1CCOC1
InChIInChI=1S/C13H25NO2/c14-13(12-6-7-15-9-12)10-16-8-11-4-2-1-3-5-11/h11-13H,1-10,14H2
InChIKeyYSJSRQYDTSROJI-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
1-cyclopentyl-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749258
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
1-(oxolan-3-yl)butan-1-amine
CID 63564938

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine (CID 104749361) is 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine is NC(COCC1CCCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is YSJSRQYDTSROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c14-13(12-6-7-15-9-12)10-16-8-11-4-2-1-3-5-11/h11-13H,1-10,14H2.
What are the key properties of 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine?
2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104749361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).