bis(acetonitrile);azane;1,3-xylene

C12H22N4 — CID 70638628

IUPACbis(acetonitrile);azane;1,3-xylene
SMILESCC#N.CC#N.Cc1cccc(C)c1.N.N
InChIInChI=1S/C8H10.2C2H3N.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2-3;;/h3-6H,1-2H3;2*1H3;2*1H3
InChIKeyFTFBSEZENSUKMC-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.69
Rot. Bonds

About bis(acetonitrile);azane;1,3-xylene

bis(acetonitrile);azane;1,3-xylene (PubChem CID 70638628) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is bis(acetonitrile);azane;1,3-xylene.

Molecular Properties

Compound Namebis(acetonitrile);azane;1,3-xylene
PubChem CID70638628
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Namebis(acetonitrile);azane;1,3-xylene
SMILESCC#N.CC#N.Cc1cccc(C)c1.N.N
InChIInChI=1S/C8H10.2C2H3N.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2-3;;/h3-6H,1-2H3;2*1H3;2*1H3
InChIKeyFTFBSEZENSUKMC-UHFFFAOYSA-N
XLogP3.69
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);azane;1,3-xylene?
The IUPAC name of bis(acetonitrile);azane;1,3-xylene (CID 70638628) is bis(acetonitrile);azane;1,3-xylene.
What is the SMILES notation for bis(acetonitrile);azane;1,3-xylene?
The canonical SMILES for bis(acetonitrile);azane;1,3-xylene is CC#N.CC#N.Cc1cccc(C)c1.N.N.
What is the InChIKey of bis(acetonitrile);azane;1,3-xylene?
The InChIKey is FTFBSEZENSUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C2H3N.2H3N/c1-7-4-3-5-8(2)6-7;2*1-2-3;;/h3-6H,1-2H3;2*1H3;2*1H3.
What are the key properties of bis(acetonitrile);azane;1,3-xylene?
bis(acetonitrile);azane;1,3-xylene has a molecular weight of 222.34 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);azane;1,3-xylene is sourced from PubChem (CID 70638628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).