1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium

C16H51N5O3Y — CID 159274573

IUPAC1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
SMILESC.C.C.CC(N)COCCCCOCC(C)OCC(C)N.N.N.N.[Y]
InChIInChI=1S/C13H30N2O3.3CH4.3H3N.Y/c1-11(14)8-16-6-4-5-7-17-10-13(3)18-9-12(2)15;;;;;;;/h11-13H,4-10,14-15H2,1-3H3;3*1H4;3*1H3;
InChIKeyGLXLOMTYFYPAID-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.29
Rot. Bonds12

About 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium

1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium (PubChem CID 159274573) has the molecular formula C16H51N5O3Y and a molecular weight of 450.52 g/mol. Its IUPAC name is 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium.

Molecular Properties

Compound Name1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
PubChem CID159274573
Molecular FormulaC16H51N5O3Y
Molecular Weight450.52 g/mol
Exact Mass450.31
IUPAC Name1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
SMILESC.C.C.CC(N)COCCCCOCC(C)OCC(C)N.N.N.N.[Y]
InChIInChI=1S/C13H30N2O3.3CH4.3H3N.Y/c1-11(14)8-16-6-4-5-7-17-10-13(3)18-9-12(2)15;;;;;;;/h11-13H,4-10,14-15H2,1-3H3;3*1H4;3*1H3;
InChIKeyGLXLOMTYFYPAID-UHFFFAOYSA-N
XLogP3.29
TPSA184.73 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium 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

1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
CID 159032271
1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
CID 59972165
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
2-[2-(2-aminopropoxy)propoxy]propan-1-amine;methane
CID 159510670
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
1-[3-(3-aminopropoxy)propoxy]propan-2-amine
CID 138696383
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium?
The IUPAC name of 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium (CID 159274573) is 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium.
What is the SMILES notation for 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium?
The canonical SMILES for 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium is C.C.C.CC(N)COCCCCOCC(C)OCC(C)N.N.N.N.[Y].
What is the InChIKey of 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium?
The InChIKey is GLXLOMTYFYPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3.3CH4.3H3N.Y/c1-11(14)8-16-6-4-5-7-17-10-13(3)18-9-12(2)15;;;;;;;/h11-13H,4-10,14-15H2,1-3H3;3*1H4;3*1H3;.
What are the key properties of 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium?
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium has a molecular weight of 450.52 g/mol, XLogP of 3.29, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium is sourced from PubChem (CID 159274573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).