3-(6-ethyloctoxy)propan-1-amine

C13H29NO — CID 174834787

IUPAC3-(6-ethyloctoxy)propan-1-amine
SMILESCCC(CC)CCCCCOCCCN
InChIInChI=1S/C13H29NO/c1-3-13(4-2)9-6-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3
InChIKeyFOYNKMGFAATRSW-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds11

About 3-(6-ethyloctoxy)propan-1-amine

3-(6-ethyloctoxy)propan-1-amine (PubChem CID 174834787) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-(6-ethyloctoxy)propan-1-amine.

Molecular Properties

Compound Name3-(6-ethyloctoxy)propan-1-amine
PubChem CID174834787
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-(6-ethyloctoxy)propan-1-amine
SMILESCCC(CC)CCCCCOCCCN
InChIInChI=1S/C13H29NO/c1-3-13(4-2)9-6-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3
InChIKeyFOYNKMGFAATRSW-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.35
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

12-ethyltetradecan-1-amine
CID 87456130
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
2-(7-methylnonoxy)ethanamine
CID 90169866
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
2-ethylundecane-1,11-diamine
CID 118354607
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
3-[6-ethyl-2-(3-ethylhexyl)nonoxy]propan-1-amine
CID 59180726
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyloctoxy)propan-1-amine?
The IUPAC name of 3-(6-ethyloctoxy)propan-1-amine (CID 174834787) is 3-(6-ethyloctoxy)propan-1-amine.
What is the SMILES notation for 3-(6-ethyloctoxy)propan-1-amine?
The canonical SMILES for 3-(6-ethyloctoxy)propan-1-amine is CCC(CC)CCCCCOCCCN.
What is the InChIKey of 3-(6-ethyloctoxy)propan-1-amine?
The InChIKey is FOYNKMGFAATRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-13(4-2)9-6-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 3-(6-ethyloctoxy)propan-1-amine?
3-(6-ethyloctoxy)propan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyloctoxy)propan-1-amine is sourced from PubChem (CID 174834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).