3-(15-dodecoxypentadecoxy)propan-1-amine

C30H63NO2 — CID 87645067

IUPAC3-(15-dodecoxypentadecoxy)propan-1-amine
SMILESCCCCCCCCCCCCOCCCCCCCCCCCCCCCOCCCN
InChIInChI=1S/C30H63NO2/c1-2-3-4-5-6-7-13-16-19-22-27-32-28-23-20-17-14-11-9-8-10-12-15-18-21-24-29-33-30-25-26-31/h2-31H2,1H3
InChIKeyHYAVKRDPQCBYAZ-UHFFFAOYSA-N
MW469.84 g/mol
LogP9.36
Rot. Bonds30

About 3-(15-dodecoxypentadecoxy)propan-1-amine

3-(15-dodecoxypentadecoxy)propan-1-amine (PubChem CID 87645067) has the molecular formula C30H63NO2 and a molecular weight of 469.84 g/mol. Its IUPAC name is 3-(15-dodecoxypentadecoxy)propan-1-amine.

Molecular Properties

Compound Name3-(15-dodecoxypentadecoxy)propan-1-amine
PubChem CID87645067
Molecular FormulaC30H63NO2
Molecular Weight469.84 g/mol
Exact Mass469.49
IUPAC Name3-(15-dodecoxypentadecoxy)propan-1-amine
SMILESCCCCCCCCCCCCOCCCCCCCCCCCCCCCOCCCN
InChIInChI=1S/C30H63NO2/c1-2-3-4-5-6-7-13-16-19-22-27-32-28-23-20-17-14-11-9-8-10-12-15-18-21-24-29-33-30-25-26-31/h2-31H2,1H3
InChIKeyHYAVKRDPQCBYAZ-UHFFFAOYSA-N
XLogP9.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(15-dodecoxypentadecoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
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-[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
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 3-(15-dodecoxypentadecoxy)propan-1-amine?
The IUPAC name of 3-(15-dodecoxypentadecoxy)propan-1-amine (CID 87645067) is 3-(15-dodecoxypentadecoxy)propan-1-amine.
What is the SMILES notation for 3-(15-dodecoxypentadecoxy)propan-1-amine?
The canonical SMILES for 3-(15-dodecoxypentadecoxy)propan-1-amine is CCCCCCCCCCCCOCCCCCCCCCCCCCCCOCCCN.
What is the InChIKey of 3-(15-dodecoxypentadecoxy)propan-1-amine?
The InChIKey is HYAVKRDPQCBYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO2/c1-2-3-4-5-6-7-13-16-19-22-27-32-28-23-20-17-14-11-9-8-10-12-15-18-21-24-29-33-30-25-26-31/h2-31H2,1H3.
What are the key properties of 3-(15-dodecoxypentadecoxy)propan-1-amine?
3-(15-dodecoxypentadecoxy)propan-1-amine has a molecular weight of 469.84 g/mol, XLogP of 9.36, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(15-dodecoxypentadecoxy)propan-1-amine is sourced from PubChem (CID 87645067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).