8-(2-ethylhexoxy)octan-1-amine

C16H35NO — CID 87537137

IUPAC8-(2-ethylhexoxy)octan-1-amine
SMILESCCCCC(CC)COCCCCCCCCN
InChIInChI=1S/C16H35NO/c1-3-5-12-16(4-2)15-18-14-11-9-7-6-8-10-13-17/h16H,3-15,17H2,1-2H3
InChIKeyCAJWJVZWULHMFY-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.52
Rot. Bonds14

About 8-(2-ethylhexoxy)octan-1-amine

8-(2-ethylhexoxy)octan-1-amine (PubChem CID 87537137) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 8-(2-ethylhexoxy)octan-1-amine.

Molecular Properties

Compound Name8-(2-ethylhexoxy)octan-1-amine
PubChem CID87537137
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name8-(2-ethylhexoxy)octan-1-amine
SMILESCCCCC(CC)COCCCCCCCCN
InChIInChI=1S/C16H35NO/c1-3-5-12-16(4-2)15-18-14-11-9-7-6-8-10-13-17/h16H,3-15,17H2,1-2H3
InChIKeyCAJWJVZWULHMFY-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.52
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-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840
1-(2-ethylbutoxy)decane
CID 22002893
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-(butoxymethyl)pentane-1,5-diamine
CID 14177998
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
3-[6-ethyl-2-(3-ethylhexyl)nonoxy]propan-1-amine
CID 59180726
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
9-(tetradecoxymethyl)nonadecane
CID 142746550
7-(nonoxymethyl)pentadecane
CID 86224814
6-(heptoxymethyl)tridecane
CID 87840359

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylhexoxy)octan-1-amine?
The IUPAC name of 8-(2-ethylhexoxy)octan-1-amine (CID 87537137) is 8-(2-ethylhexoxy)octan-1-amine.
What is the SMILES notation for 8-(2-ethylhexoxy)octan-1-amine?
The canonical SMILES for 8-(2-ethylhexoxy)octan-1-amine is CCCCC(CC)COCCCCCCCCN.
What is the InChIKey of 8-(2-ethylhexoxy)octan-1-amine?
The InChIKey is CAJWJVZWULHMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-3-5-12-16(4-2)15-18-14-11-9-7-6-8-10-13-17/h16H,3-15,17H2,1-2H3.
What are the key properties of 8-(2-ethylhexoxy)octan-1-amine?
8-(2-ethylhexoxy)octan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.52, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylhexoxy)octan-1-amine is sourced from PubChem (CID 87537137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).