2-octan-2-yloxyethanamine

C10H23NO — CID 43127313

IUPAC2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCN
InChIInChI=1S/C10H23NO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9,11H2,1-2H3
InChIKeyYYJQYOGOUHWRLP-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds8

About 2-octan-2-yloxyethanamine

2-octan-2-yloxyethanamine (PubChem CID 43127313) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-octan-2-yloxyethanamine.

Molecular Properties

Compound Name2-octan-2-yloxyethanamine
PubChem CID43127313
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCN
InChIInChI=1S/C10H23NO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9,11H2,1-2H3
InChIKeyYYJQYOGOUHWRLP-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-hexan-2-yloxydecane
CID 57029724
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
2-dodecan-5-yloxyethanamine
CID 18672808
2-(2-methoxyethoxy)octadecane
CID 89276167
2-(2-chloroethoxy)octane
CID 20788636
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
2-ethoxytridecane
CID 54143367
1-octan-2-yloxypropan-2-amine
CID 43127432

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxyethanamine?
The IUPAC name of 2-octan-2-yloxyethanamine (CID 43127313) is 2-octan-2-yloxyethanamine.
What is the SMILES notation for 2-octan-2-yloxyethanamine?
The canonical SMILES for 2-octan-2-yloxyethanamine is CCCCCCC(C)OCCN.
What is the InChIKey of 2-octan-2-yloxyethanamine?
The InChIKey is YYJQYOGOUHWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-octan-2-yloxyethanamine?
2-octan-2-yloxyethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxyethanamine is sourced from PubChem (CID 43127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).