4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)

C15H24NY — CID 149386177

IUPAC4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)
SMILES[CH2-]CCC[CH2-].[CH2-]c1ccc(NC(C)C)cc1.[Y+3]
InChIInChI=1S/C10H14N.C5H10.Y/c1-8(2)11-10-6-4-9(3)5-7-10;1-3-5-4-2;/h4-8,11H,3H2,1-2H3;1-5H2;/q-1;-2;+3
InChIKeyYMPUQZXBPYZMEG-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.51
Rot. Bonds4

About 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)

4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+) (PubChem CID 149386177) has the molecular formula C15H24NY and a molecular weight of 307.27 g/mol. Its IUPAC name is 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+).

Molecular Properties

Compound Name4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)
PubChem CID149386177
Molecular FormulaC15H24NY
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)
SMILES[CH2-]CCC[CH2-].[CH2-]c1ccc(NC(C)C)cc1.[Y+3]
InChIInChI=1S/C10H14N.C5H10.Y/c1-8(2)11-10-6-4-9(3)5-7-10;1-3-5-4-2;/h4-8,11H,3H2,1-2H3;1-5H2;/q-1;-2;+3
InChIKeyYMPUQZXBPYZMEG-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methanidyl-N-propan-2-ylaniline;pentane;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

4-benzyl-N-propan-2-ylaniline
CID 22888879
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
CID 174838160
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
CID 91068472
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
1-methyl-N-propan-2-ylpyridin-1-ium-4-amine
CID 90874044
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850

Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)?
The IUPAC name of 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+) (CID 149386177) is 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+).
What is the SMILES notation for 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)?
The canonical SMILES for 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+) is [CH2-]CCC[CH2-].[CH2-]c1ccc(NC(C)C)cc1.[Y+3].
What is the InChIKey of 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)?
The InChIKey is YMPUQZXBPYZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.C5H10.Y/c1-8(2)11-10-6-4-9(3)5-7-10;1-3-5-4-2;/h4-8,11H,3H2,1-2H3;1-5H2;/q-1;-2;+3.
What are the key properties of 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)?
4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+) has a molecular weight of 307.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+) is sourced from PubChem (CID 149386177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).