ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)

C11H16N2W — CID 161040505

IUPACethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)
SMILESCC.CC/[C-]=N/c1[c-]c(C)ncc1.[W+2]
InChIInChI=1S/C9H10N2.C2H6.W/c1-3-5-11-9-4-6-10-8(2)7-9;1-2;/h4,6H,3H2,1-2H3;1-2H3;/q-2;;+2
InChIKeyDMBJNEXZNJUWOI-UHFFFAOYSA-N
MW360.10 g/mol
LogP3.20
Rot. Bonds2

About ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)

ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+) (PubChem CID 161040505) has the molecular formula C11H16N2W and a molecular weight of 360.10 g/mol. Its IUPAC name is ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+).

Molecular Properties

Compound Nameethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)
PubChem CID161040505
Molecular FormulaC11H16N2W
Molecular Weight360.10 g/mol
Exact Mass360.08
IUPAC Nameethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)
SMILESCC.CC/[C-]=N/c1[c-]c(C)ncc1.[W+2]
InChIInChI=1S/C9H10N2.C2H6.W/c1-3-5-11-9-4-6-10-8(2)7-9;1-2;/h4,6H,3H2,1-2H3;1-2H3;/q-2;;+2
InChIKeyDMBJNEXZNJUWOI-UHFFFAOYSA-N
XLogP3.20
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(2-methyl-4H-pyridin-4-id-3-yl)propan-1-imine;tungsten(2+)
CID 59567148
N-(4-methyl-2H-pyridin-2-id-3-yl)propan-1-imine;tungsten(2+)
CID 59567153
N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)
CID 59659048
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
ethane;2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 142933098
(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine
CID 143956481
1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine;ethane
CID 144460563
ethane;N-(4-methyl-2H-pyridin-2-id-3-yl)propan-1-imine;tungsten(2+)
CID 158162413
ethane;N-(2-methyl-4H-pyridin-4-id-3-yl)propan-1-imine;tungsten(2+)
CID 161750758
(Z)-2-N-[(3Z)-penta-1,3-dien-2-yl]-5-N-propan-2-ylidenepent-3-ene-2,5-diimine
CID 169850594
2-(2-Methylpyrrol-3-ylidene)indole
CID 173196770
2-Methyl-6H-pyrrolo[3,2-b]pyridine
CID 15581318

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)?
The IUPAC name of ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+) (CID 161040505) is ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+).
What is the SMILES notation for ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)?
The canonical SMILES for ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+) is CC.CC/[C-]=N/c1[c-]c(C)ncc1.[W+2].
What is the InChIKey of ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)?
The InChIKey is DMBJNEXZNJUWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6.W/c1-3-5-11-9-4-6-10-8(2)7-9;1-2;/h4,6H,3H2,1-2H3;1-2H3;/q-2;;+2.
What are the key properties of ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+)?
ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+) has a molecular weight of 360.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methyl-3H-pyridin-3-id-4-yl)propan-1-imine;tungsten(2+) is sourced from PubChem (CID 161040505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).