N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine

C17H31NO2 — CID 104510178

IUPACN-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CC2CCCC2)CCOC1C1CC1
InChIInChI=1S/C17H31NO2/c1-19-11-9-18-13-17(12-14-4-2-3-5-14)8-10-20-16(17)15-6-7-15/h14-16,18H,2-13H2,1H3
InChIKeyHTQXFXAYVKCCGK-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.99
Rot. Bonds8

About N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine

N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 104510178) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID104510178
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CC2CCCC2)CCOC1C1CC1
InChIInChI=1S/C17H31NO2/c1-19-11-9-18-13-17(12-14-4-2-3-5-14)8-10-20-16(17)15-6-7-15/h14-16,18H,2-13H2,1H3
InChIKeyHTQXFXAYVKCCGK-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 105408569
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine (CID 104510178) is N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(CC2CCCC2)CCOC1C1CC1.
What is the InChIKey of N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is HTQXFXAYVKCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-19-11-9-18-13-17(12-14-4-2-3-5-14)8-10-20-16(17)15-6-7-15/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 104510178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).