ethylbenzene;pyridin-2-ylmethanimine

C14H16N2 — CID 174801514

IUPACethylbenzene;pyridin-2-ylmethanimine
SMILESCCc1ccccc1.[H]/N=C/c1ccccn1
InChIInChI=1S/C8H10.C6H6N2/c1-2-8-6-4-3-5-7-8;7-5-6-3-1-2-4-8-6/h3-7H,2H2,1H3;1-5,7H/b;7-5+
InChIKeyHWBUFTIUUXASDH-QIHXQYKCSA-N
MW212.30 g/mol
LogP3.33
Rot. Bonds2

About ethylbenzene;pyridin-2-ylmethanimine

ethylbenzene;pyridin-2-ylmethanimine (PubChem CID 174801514) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is ethylbenzene;pyridin-2-ylmethanimine.

Molecular Properties

Compound Nameethylbenzene;pyridin-2-ylmethanimine
PubChem CID174801514
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Nameethylbenzene;pyridin-2-ylmethanimine
SMILESCCc1ccccc1.[H]/N=C/c1ccccn1
InChIInChI=1S/C8H10.C6H6N2/c1-2-8-6-4-3-5-7-8;7-5-6-3-1-2-4-8-6/h3-7H,2H2,1H3;1-5,7H/b;7-5+
InChIKeyHWBUFTIUUXASDH-QIHXQYKCSA-N
XLogP3.33
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;pyridin-2-ylmethanimine?
The IUPAC name of ethylbenzene;pyridin-2-ylmethanimine (CID 174801514) is ethylbenzene;pyridin-2-ylmethanimine.
What is the SMILES notation for ethylbenzene;pyridin-2-ylmethanimine?
The canonical SMILES for ethylbenzene;pyridin-2-ylmethanimine is CCc1ccccc1.[H]/N=C/c1ccccn1.
What is the InChIKey of ethylbenzene;pyridin-2-ylmethanimine?
The InChIKey is HWBUFTIUUXASDH-QIHXQYKCSA-N. The full InChI is InChI=1S/C8H10.C6H6N2/c1-2-8-6-4-3-5-7-8;7-5-6-3-1-2-4-8-6/h3-7H,2H2,1H3;1-5,7H/b;7-5+.
What are the key properties of ethylbenzene;pyridin-2-ylmethanimine?
ethylbenzene;pyridin-2-ylmethanimine has a molecular weight of 212.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;pyridin-2-ylmethanimine is sourced from PubChem (CID 174801514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).