N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine

C15H29NO2 — CID 55036136

IUPACN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-16-13-15(9-5-3-6-10-15)18-12-14-8-4-7-11-17-14/h14,16H,2-13H2,1H3
InChIKeyLBVUAQBHUOMXCI-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine

N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine (PubChem CID 55036136) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine
PubChem CID55036136
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-16-13-15(9-5-3-6-10-15)18-12-14-8-4-7-11-17-14/h14,16H,2-13H2,1H3
InChIKeyLBVUAQBHUOMXCI-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine (CID 55036136) is N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine is CCNCC1(OCC2CCCCO2)CCCCC1.
What is the InChIKey of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is LBVUAQBHUOMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-16-13-15(9-5-3-6-10-15)18-12-14-8-4-7-11-17-14/h14,16H,2-13H2,1H3.
What are the key properties of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine?
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 55036136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).