2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine

C16H31NO2 — CID 103138492

IUPAC2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCC(C)O2)CCCCC1
InChIInChI=1S/C16H31NO2/c1-14-6-7-15(19-14)12-16(8-4-3-5-9-16)13-17-10-11-18-2/h14-15,17H,3-13H2,1-2H3
InChIKeyHTGJDLDFOKRPLP-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds7

About 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 103138492) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID103138492
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCC(C)O2)CCCCC1
InChIInChI=1S/C16H31NO2/c1-14-6-7-15(19-14)12-16(8-4-3-5-9-16)13-17-10-11-18-2/h14-15,17H,3-13H2,1-2H3
InChIKeyHTGJDLDFOKRPLP-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
[1-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 82836590
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine (CID 103138492) is 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine is COCCNCC1(CC2CCC(C)O2)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is HTGJDLDFOKRPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14-6-7-15(19-14)12-16(8-4-3-5-9-16)13-17-10-11-18-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103138492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).