pentan-3-amine;yttrium(3+)

C5H12NY+2 — CID 23541288

IUPACpentan-3-amine;yttrium(3+)
SMILES[CH2-]CC(N)CC.[Y+3]
InChIInChI=1S/C5H12N.Y/c1-3-5(6)4-2;/h5H,1,3-4,6H2,2H3;/q-1;+3
InChIKeyCKMIJGCTBKQBLU-UHFFFAOYSA-N
MW175.06 g/mol
LogP0.95
Rot. Bonds2

About pentan-3-amine;yttrium(3+)

pentan-3-amine;yttrium(3+) (PubChem CID 23541288) has the molecular formula C5H12NY+2 and a molecular weight of 175.06 g/mol. Its IUPAC name is pentan-3-amine;yttrium(3+).

Molecular Properties

Compound Namepentan-3-amine;yttrium(3+)
PubChem CID23541288
Molecular FormulaC5H12NY+2
Molecular Weight175.06 g/mol
Exact Mass175.00
IUPAC Namepentan-3-amine;yttrium(3+)
SMILES[CH2-]CC(N)CC.[Y+3]
InChIInChI=1S/C5H12N.Y/c1-3-5(6)4-2;/h5H,1,3-4,6H2,2H3;/q-1;+3
InChIKeyCKMIJGCTBKQBLU-UHFFFAOYSA-N
XLogP0.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pentan-3-amine;yttrium(3+) 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

pentan-3-amine;uranium(2+)
CID 148626770
pentan-3-amine;hydroiodide
CID 173436389
(5R)-heptane-3,5-diamine
CID 118180613
tetradecane-3,6,9,12-tetramine
CID 140993886
1-dichlorosilylbutan-2-amine
CID 173003363
1-dihydroxysilylbutan-2-amine
CID 173136306
(2S)-1-chlorobutan-2-amine
CID 130722137
ethane;hexan-3-amine
CID 143616305
2-aminobutyl(trimethyl)azanium
CID 57196894
1,1-difluoropentan-3-amine
CID 62581791
ethane;hexan-3-amine;methane
CID 145152462
hexane-3,4-diamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of pentan-3-amine;yttrium(3+)?
The IUPAC name of pentan-3-amine;yttrium(3+) (CID 23541288) is pentan-3-amine;yttrium(3+).
What is the SMILES notation for pentan-3-amine;yttrium(3+)?
The canonical SMILES for pentan-3-amine;yttrium(3+) is [CH2-]CC(N)CC.[Y+3].
What is the InChIKey of pentan-3-amine;yttrium(3+)?
The InChIKey is CKMIJGCTBKQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.Y/c1-3-5(6)4-2;/h5H,1,3-4,6H2,2H3;/q-1;+3.
What are the key properties of pentan-3-amine;yttrium(3+)?
pentan-3-amine;yttrium(3+) has a molecular weight of 175.06 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-amine;yttrium(3+) is sourced from PubChem (CID 23541288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).