ethane;4-methyl-7-pyridin-2-yl-4H-azepine

C14H18N2 — CID 142200187

IUPACethane;4-methyl-7-pyridin-2-yl-4H-azepine
SMILESCC.CC1C=CN=C(c2ccccn2)C=C1
InChIInChI=1S/C12H12N2.C2H6/c1-10-5-6-12(14-9-7-10)11-4-2-3-8-13-11;1-2/h2-10H,1H3;1-2H3
InChIKeyDOXXLCHSNSSVAZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.62
Rot. Bonds1

About ethane;4-methyl-7-pyridin-2-yl-4H-azepine

ethane;4-methyl-7-pyridin-2-yl-4H-azepine (PubChem CID 142200187) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;4-methyl-7-pyridin-2-yl-4H-azepine.

Molecular Properties

Compound Nameethane;4-methyl-7-pyridin-2-yl-4H-azepine
PubChem CID142200187
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Nameethane;4-methyl-7-pyridin-2-yl-4H-azepine
SMILESCC.CC1C=CN=C(c2ccccn2)C=C1
InChIInChI=1S/C12H12N2.C2H6/c1-10-5-6-12(14-9-7-10)11-4-2-3-8-13-11;1-2/h2-10H,1H3;1-2H3
InChIKeyDOXXLCHSNSSVAZ-UHFFFAOYSA-N
XLogP3.62
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-7-pyridin-2-yl-4H-azepine?
The IUPAC name of ethane;4-methyl-7-pyridin-2-yl-4H-azepine (CID 142200187) is ethane;4-methyl-7-pyridin-2-yl-4H-azepine.
What is the SMILES notation for ethane;4-methyl-7-pyridin-2-yl-4H-azepine?
The canonical SMILES for ethane;4-methyl-7-pyridin-2-yl-4H-azepine is CC.CC1C=CN=C(c2ccccn2)C=C1.
What is the InChIKey of ethane;4-methyl-7-pyridin-2-yl-4H-azepine?
The InChIKey is DOXXLCHSNSSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H6/c1-10-5-6-12(14-9-7-10)11-4-2-3-8-13-11;1-2/h2-10H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-7-pyridin-2-yl-4H-azepine?
ethane;4-methyl-7-pyridin-2-yl-4H-azepine has a molecular weight of 214.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-7-pyridin-2-yl-4H-azepine is sourced from PubChem (CID 142200187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).