N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

C16H31NO2 — CID 79927034

IUPACN-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCOC2CCCCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO2/c1-15(2)12-14(16(3,4)19-15)17-10-11-18-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3
InChIKeyJFPWLHXLMMPGIK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79927034) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79927034
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCOC2CCCCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO2/c1-15(2)12-14(16(3,4)19-15)17-10-11-18-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3
InChIKeyJFPWLHXLMMPGIK-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
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

2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
CID 79917065
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cyclopropylethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927409
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122
N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
CID 102951932
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63828343
2,2,5,5-tetramethyl-N-(3-propan-2-yloxypropyl)oxolan-3-amine
CID 79916355
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79927034) is N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCCOC2CCCCC2)C(C)(C)O1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is JFPWLHXLMMPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2)12-14(16(3,4)19-15)17-10-11-18-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).