N-butan-2-ylmethanimine;yttrium

C5H9NY-2 — CID 134851692

IUPACN-butan-2-ylmethanimine;yttrium
SMILES[H]/[C-]=N/C(C)[CH-]C.[Y]
InChIInChI=1S/C5H9N.Y/c1-4-5(2)6-3;/h3-5H,1-2H3;/q-2;
InChIKeyXQIYJWRZXWXPBC-UHFFFAOYSA-N
MW172.04 g/mol
LogP1.17
Rot. Bonds2

About N-butan-2-ylmethanimine;yttrium

N-butan-2-ylmethanimine;yttrium (PubChem CID 134851692) has the molecular formula C5H9NY-2 and a molecular weight of 172.04 g/mol. Its IUPAC name is N-butan-2-ylmethanimine;yttrium.

Molecular Properties

Compound NameN-butan-2-ylmethanimine;yttrium
PubChem CID134851692
Molecular FormulaC5H9NY-2
Molecular Weight172.04 g/mol
Exact Mass171.98
IUPAC NameN-butan-2-ylmethanimine;yttrium
SMILES[H]/[C-]=N/C(C)[CH-]C.[Y]
InChIInChI=1S/C5H9N.Y/c1-4-5(2)6-3;/h3-5H,1-2H3;/q-2;
InChIKeyXQIYJWRZXWXPBC-UHFFFAOYSA-N
XLogP1.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.04
LogP ≤ 51.17
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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Related Compounds

Methylideneisopropylamine
CID 12108316
N-butan-2-ylmethanimine;copper;yttrium
CID 134851693
N-butan-2-ylmethanimine
CID 13220559
4-Methyl-4,5-dihydro-1,3-tellurazole
CID 23511113
1-deuterio-N-propan-2-ylmethanimine
CID 57862927
N-[(2R)-butan-2-yl]methanimine
CID 58664945
N-[(2S)-butan-2-yl]methanimine
CID 58664946
CID 58792550
CID 58792550
N-butan-2-ylethanimine;yttrium
CID 59797811
N-propan-2-ylmethanimine;vanadium
CID 60117117
N-pentan-3-ylmethanimine
CID 123798612
N-propan-2-ylmethanimine;yttrium
CID 163262192

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylmethanimine;yttrium?
The IUPAC name of N-butan-2-ylmethanimine;yttrium (CID 134851692) is N-butan-2-ylmethanimine;yttrium.
What is the SMILES notation for N-butan-2-ylmethanimine;yttrium?
The canonical SMILES for N-butan-2-ylmethanimine;yttrium is [H]/[C-]=N/C(C)[CH-]C.[Y].
What is the InChIKey of N-butan-2-ylmethanimine;yttrium?
The InChIKey is XQIYJWRZXWXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.Y/c1-4-5(2)6-3;/h3-5H,1-2H3;/q-2;.
What are the key properties of N-butan-2-ylmethanimine;yttrium?
N-butan-2-ylmethanimine;yttrium has a molecular weight of 172.04 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylmethanimine;yttrium is sourced from PubChem (CID 134851692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).