1-propylazepane;yttrium

C9H18NY- — CID 59057891

IUPAC1-propylazepane;yttrium
SMILES[CH2-]CCN1CCCCCC1.[Y]
InChIInChI=1S/C9H18N.Y/c1-2-7-10-8-5-3-4-6-9-10;/h1-9H2;/q-1;
InChIKeyNNHAOLKTAZJNNZ-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.08
Rot. Bonds2

About 1-propylazepane;yttrium

1-propylazepane;yttrium (PubChem CID 59057891) has the molecular formula C9H18NY- and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-propylazepane;yttrium.

Molecular Properties

Compound Name1-propylazepane;yttrium
PubChem CID59057891
Molecular FormulaC9H18NY-
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-propylazepane;yttrium
SMILES[CH2-]CCN1CCCCCC1.[Y]
InChIInChI=1S/C9H18N.Y/c1-2-7-10-8-5-3-4-6-9-10;/h1-9H2;/q-1;
InChIKeyNNHAOLKTAZJNNZ-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 1-propylazepane;yttrium?
The IUPAC name of 1-propylazepane;yttrium (CID 59057891) is 1-propylazepane;yttrium.
What is the SMILES notation for 1-propylazepane;yttrium?
The canonical SMILES for 1-propylazepane;yttrium is [CH2-]CCN1CCCCCC1.[Y].
What is the InChIKey of 1-propylazepane;yttrium?
The InChIKey is NNHAOLKTAZJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N.Y/c1-2-7-10-8-5-3-4-6-9-10;/h1-9H2;/q-1;.
What are the key properties of 1-propylazepane;yttrium?
1-propylazepane;yttrium has a molecular weight of 229.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazepane;yttrium is sourced from PubChem (CID 59057891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).