N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)

C10H14N2Y22-2 — CID 156676028

IUPACN-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)
SMILESCC(C)[CH-]N(C)c1[c-]cccn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H14N2.22Y/c1-9(2)8-12(3)10-6-4-5-7-11-10;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-9H,1-3H3;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKVVXADWYFYXQMU-UHFFFAOYSA-N
MW2118.17 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)

N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) (PubChem CID 156676028) has the molecular formula C10H14N2Y22-2 and a molecular weight of 2118.17 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium).

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)
PubChem CID156676028
Molecular FormulaC10H14N2Y22-2
Molecular Weight2118.17 g/mol
Exact Mass2118.05
IUPAC NameN-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)
SMILESCC(C)[CH-]N(C)c1[c-]cccn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H14N2.22Y/c1-9(2)8-12(3)10-6-4-5-7-11-10;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-9H,1-3H3;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKVVXADWYFYXQMU-UHFFFAOYSA-N
XLogP2.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002118.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-3H-pyridin-3-id-2-amine;yttrium
CID 58879193

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) (CID 156676028) is N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium).
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) is CC(C)[CH-]N(C)c1[c-]cccn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)?
The InChIKey is KVVXADWYFYXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.22Y/c1-9(2)8-12(3)10-6-4-5-7-11-10;;;;;;;;;;;;;;;;;;;;;;/h4-5,7-9H,1-3H3;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium)?
N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) has a molecular weight of 2118.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3H-pyridin-3-id-2-amine;docosakis(yttrium) is sourced from PubChem (CID 156676028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).