[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium

C14H26N2Y-2 — CID 153499368

IUPAC[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium
SMILESCC(C)CC(=[N-])C[C-]1CCN(C(C)C)CC1.[Y]
InChIInChI=1S/C14H26N2.Y/c1-11(2)9-14(15)10-13-5-7-16(8-6-13)12(3)4;/h11-12H,5-10H2,1-4H3;/q-2;
InChIKeyWHJIUNHUZKDURU-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.51
Rot. Bonds5

About [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium

[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium (PubChem CID 153499368) has the molecular formula C14H26N2Y-2 and a molecular weight of 311.28 g/mol. Its IUPAC name is [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium.

Molecular Properties

Compound Name[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium
PubChem CID153499368
Molecular FormulaC14H26N2Y-2
Molecular Weight311.28 g/mol
Exact Mass311.12
IUPAC Name[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium
SMILESCC(C)CC(=[N-])C[C-]1CCN(C(C)C)CC1.[Y]
InChIInChI=1S/C14H26N2.Y/c1-11(2)9-14(15)10-13-5-7-16(8-6-13)12(3)4;/h11-12H,5-10H2,1-4H3;/q-2;
InChIKeyWHJIUNHUZKDURU-UHFFFAOYSA-N
XLogP3.51
TPSA25.54 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium?
The IUPAC name of [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium (CID 153499368) is [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium.
What is the SMILES notation for [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium?
The canonical SMILES for [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium is CC(C)CC(=[N-])C[C-]1CCN(C(C)C)CC1.[Y].
What is the InChIKey of [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium?
The InChIKey is WHJIUNHUZKDURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.Y/c1-11(2)9-14(15)10-13-5-7-16(8-6-13)12(3)4;/h11-12H,5-10H2,1-4H3;/q-2;.
What are the key properties of [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium?
[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium has a molecular weight of 311.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium is sourced from PubChem (CID 153499368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).