cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium

C18H39NOY — CID 157250683

IUPACcumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
SMILESC.C.C.CC(C)N(C)CCO.CC(C)c1ccccc1.[Y]
InChIInChI=1S/C9H12.C6H15NO.3CH4.Y/c1-8(2)9-6-4-3-5-7-9;1-6(2)7(3)4-5-8;;;;/h3-8H,1-2H3;6,8H,4-5H2,1-3H3;3*1H4;
InChIKeyAWHNYRNQMJVDAB-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.03
Rot. Bonds4

About cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium

cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium (PubChem CID 157250683) has the molecular formula C18H39NOY and a molecular weight of 374.42 g/mol. Its IUPAC name is cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium.

Molecular Properties

Compound Namecumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
PubChem CID157250683
Molecular FormulaC18H39NOY
Molecular Weight374.42 g/mol
Exact Mass374.21
IUPAC Namecumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium
SMILESC.C.C.CC(C)N(C)CCO.CC(C)c1ccccc1.[Y]
InChIInChI=1S/C9H12.C6H15NO.3CH4.Y/c1-8(2)9-6-4-3-5-7-9;1-6(2)7(3)4-5-8;;;;/h3-8H,1-2H3;6,8H,4-5H2,1-3H3;3*1H4;
InChIKeyAWHNYRNQMJVDAB-UHFFFAOYSA-N
XLogP5.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium?
The IUPAC name of cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium (CID 157250683) is cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium.
What is the SMILES notation for cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium?
The canonical SMILES for cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium is C.C.C.CC(C)N(C)CCO.CC(C)c1ccccc1.[Y].
What is the InChIKey of cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium?
The InChIKey is AWHNYRNQMJVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H15NO.3CH4.Y/c1-8(2)9-6-4-3-5-7-9;1-6(2)7(3)4-5-8;;;;/h3-8H,1-2H3;6,8H,4-5H2,1-3H3;3*1H4;.
What are the key properties of cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium?
cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium has a molecular weight of 374.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;2-[methyl(propan-2-yl)amino]ethanol;yttrium is sourced from PubChem (CID 157250683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).