3-dodecoxypropan-1-amine;hydrobromide

C15H34BrNO — CID 173075424

IUPAC3-dodecoxypropan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCOCCCN
InChIInChI=1S/C15H33NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16;/h2-16H2,1H3;1H
InChIKeyJLOWUZMOHTYCMR-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.85
Rot. Bonds14

About 3-dodecoxypropan-1-amine;hydrobromide

3-dodecoxypropan-1-amine;hydrobromide (PubChem CID 173075424) has the molecular formula C15H34BrNO and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-dodecoxypropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-dodecoxypropan-1-amine;hydrobromide
PubChem CID173075424
Molecular FormulaC15H34BrNO
Molecular Weight324.35 g/mol
Exact Mass323.18
IUPAC Name3-dodecoxypropan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCOCCCN
InChIInChI=1S/C15H33NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16;/h2-16H2,1H3;1H
InChIKeyJLOWUZMOHTYCMR-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.85
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

3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxypropan-1-amine;hydrobromide?
The IUPAC name of 3-dodecoxypropan-1-amine;hydrobromide (CID 173075424) is 3-dodecoxypropan-1-amine;hydrobromide.
What is the SMILES notation for 3-dodecoxypropan-1-amine;hydrobromide?
The canonical SMILES for 3-dodecoxypropan-1-amine;hydrobromide is Br.CCCCCCCCCCCCOCCCN.
What is the InChIKey of 3-dodecoxypropan-1-amine;hydrobromide?
The InChIKey is JLOWUZMOHTYCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16;/h2-16H2,1H3;1H.
What are the key properties of 3-dodecoxypropan-1-amine;hydrobromide?
3-dodecoxypropan-1-amine;hydrobromide has a molecular weight of 324.35 g/mol, XLogP of 4.85, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxypropan-1-amine;hydrobromide is sourced from PubChem (CID 173075424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).