N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium

C10H17NY-2 — CID 155657078

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
SMILES[H]/[C-]=C(/N=[C-]/C(C)C)C(C)(C)C.[Y]
InChIInChI=1S/C10H17N.Y/c1-8(2)7-11-9(3)10(4,5)6;/h3,8H,1-2,4-6H3;/q-2;
InChIKeyPBLIGJDSIVOMIE-UHFFFAOYSA-N
MW240.16 g/mol
LogP2.95
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium

N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium (PubChem CID 155657078) has the molecular formula C10H17NY-2 and a molecular weight of 240.16 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
PubChem CID155657078
Molecular FormulaC10H17NY-2
Molecular Weight240.16 g/mol
Exact Mass240.04
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
SMILES[H]/[C-]=C(/N=[C-]/C(C)C)C(C)(C)C.[Y]
InChIInChI=1S/C10H17N.Y/c1-8(2)7-11-9(3)10(4,5)6;/h3,8H,1-2,4-6H3;/q-2;
InChIKeyPBLIGJDSIVOMIE-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 52.95
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 N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium (CID 155657078) is N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium is [H]/[C-]=C(/N=[C-]/C(C)C)C(C)(C)C.[Y].
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium?
The InChIKey is PBLIGJDSIVOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.Y/c1-8(2)7-11-9(3)10(4,5)6;/h3,8H,1-2,4-6H3;/q-2;.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium?
N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium has a molecular weight of 240.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium is sourced from PubChem (CID 155657078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).