3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine

C16H36N2O3 — CID 170363790

IUPAC3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
SMILESCCCCOCC(CC)(COCCCN)COCCCN
InChIInChI=1S/C16H36N2O3/c1-3-5-10-19-13-16(4-2,14-20-11-6-8-17)15-21-12-7-9-18/h3-15,17-18H2,1-2H3
InChIKeyOLHMPSZACJENHU-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.93
Rot. Bonds16

About 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine

3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine (PubChem CID 170363790) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
PubChem CID170363790
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Name3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
SMILESCCCCOCC(CC)(COCCCN)COCCCN
InChIInChI=1S/C16H36N2O3/c1-3-5-10-19-13-16(4-2,14-20-11-6-8-17)15-21-12-7-9-18/h3-15,17-18H2,1-2H3
InChIKeyOLHMPSZACJENHU-UHFFFAOYSA-N
XLogP1.93
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]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-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
2-(3-aminopropoxymethyl)-2-butylpropane-1,3-diol
CID 135255825
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-[3-[2,2-bis(3-octadecylsulfanylpropoxymethyl)butoxy]propylsulfanyl]octadecane
CID 57275157
4-nonoxybutan-1-amine
CID 139664551
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
3-(bromomethyl)-3-(hexoxymethyl)pentane
CID 64998360

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine (CID 170363790) is 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine is CCCCOCC(CC)(COCCCN)COCCCN.
What is the InChIKey of 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine?
The InChIKey is OLHMPSZACJENHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O3/c1-3-5-10-19-13-16(4-2,14-20-11-6-8-17)15-21-12-7-9-18/h3-15,17-18H2,1-2H3.
What are the key properties of 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine?
3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 1.93, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine is sourced from PubChem (CID 170363790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).