N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine

C14H29NO2 — CID 106457308

IUPACN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCOCC(C)C)CCOC1C
InChIInChI=1S/C14H29NO2/c1-5-15-11-14(7-9-17-13(14)4)6-8-16-10-12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyIYLKTMCJLWQMDS-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds8

About N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine

N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 106457308) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
PubChem CID106457308
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCOCC(C)C)CCOC1C
InChIInChI=1S/C14H29NO2/c1-5-15-11-14(7-9-17-13(14)4)6-8-16-10-12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyIYLKTMCJLWQMDS-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine (CID 106457308) is N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCOCC(C)C)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is IYLKTMCJLWQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-15-11-14(7-9-17-13(14)4)6-8-16-10-12(2)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 106457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).