2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine

C15H31NO2 — CID 62598671

IUPAC2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCCCCCC(C)OCCNCC1CCOC1
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-14(2)18-11-9-16-12-15-8-10-17-13-15/h14-16H,3-13H2,1-2H3
InChIKeyJXEDRNACTJEIOT-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds11

About 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine

2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62598671) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62598671
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCCCCCC(C)OCCNCC1CCOC1
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-14(2)18-11-9-16-12-15-8-10-17-13-15/h14-16H,3-13H2,1-2H3
InChIKeyJXEDRNACTJEIOT-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
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-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
CID 64731405
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine (CID 62598671) is 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine is CCCCCCC(C)OCCNCC1CCOC1.
What is the InChIKey of 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is JXEDRNACTJEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-14(2)18-11-9-16-12-15-8-10-17-13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine?
2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).