N,N-di(propan-2-yl)aniline;bis(yttrium)

C12H17NY2-2 — CID 135024456

IUPACN,N-di(propan-2-yl)aniline;bis(yttrium)
SMILESCC(C)N(c1[c-]ccc[c-]1)C(C)C.[Y].[Y]
InChIInChI=1S/C12H17N.2Y/c1-10(2)13(11(3)4)12-8-6-5-7-9-12;;/h5-7,10-11H,1-4H3;;/q-2;;
InChIKeyUFGGMQIVAPFLFZ-UHFFFAOYSA-N
MW353.09 g/mol
LogP2.91
Rot. Bonds3

About N,N-di(propan-2-yl)aniline;bis(yttrium)

N,N-di(propan-2-yl)aniline;bis(yttrium) (PubChem CID 135024456) has the molecular formula C12H17NY2-2 and a molecular weight of 353.09 g/mol. Its IUPAC name is N,N-di(propan-2-yl)aniline;bis(yttrium).

Molecular Properties

Compound NameN,N-di(propan-2-yl)aniline;bis(yttrium)
PubChem CID135024456
Molecular FormulaC12H17NY2-2
Molecular Weight353.09 g/mol
Exact Mass352.95
IUPAC NameN,N-di(propan-2-yl)aniline;bis(yttrium)
SMILESCC(C)N(c1[c-]ccc[c-]1)C(C)C.[Y].[Y]
InChIInChI=1S/C12H17N.2Y/c1-10(2)13(11(3)4)12-8-6-5-7-9-12;;/h5-7,10-11H,1-4H3;;/q-2;;
InChIKeyUFGGMQIVAPFLFZ-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-isopropylpyridine
CID 18505181
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
3-Fluoro-2-methylidene-1-propan-2-ylpyridine
CID 175639311
N,N-diethylcyclooctatetraenamine
CID 134994848
N,N-diethylpenta-1,3-dien-3-amine
CID 6713340
lithium N,N-diethylaniline
CID 11182731
1,6-Dimethylpyridine
CID 17876667
1-ethyl-6-methyl-2H-pyridine
CID 17995825
1-ethyl-N,N-dimethyl-2H-pyridin-4-amine
CID 19782352
sodium N,N-diethylaniline
CID 20551492
lithium N,N-diethylaniline
CID 20551510
6-ethenyl-1-ethyl-2H-pyridine
CID 21282230

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)aniline;bis(yttrium)?
The IUPAC name of N,N-di(propan-2-yl)aniline;bis(yttrium) (CID 135024456) is N,N-di(propan-2-yl)aniline;bis(yttrium).
What is the SMILES notation for N,N-di(propan-2-yl)aniline;bis(yttrium)?
The canonical SMILES for N,N-di(propan-2-yl)aniline;bis(yttrium) is CC(C)N(c1[c-]ccc[c-]1)C(C)C.[Y].[Y].
What is the InChIKey of N,N-di(propan-2-yl)aniline;bis(yttrium)?
The InChIKey is UFGGMQIVAPFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2Y/c1-10(2)13(11(3)4)12-8-6-5-7-9-12;;/h5-7,10-11H,1-4H3;;/q-2;;.
What are the key properties of N,N-di(propan-2-yl)aniline;bis(yttrium)?
N,N-di(propan-2-yl)aniline;bis(yttrium) has a molecular weight of 353.09 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)aniline;bis(yttrium) is sourced from PubChem (CID 135024456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).