azane;1,3-xylene;hydrochloride

C8H14ClN — CID 175000695

IUPACazane;1,3-xylene;hydrochloride
SMILESCc1cccc(C)c1.Cl.N
InChIInChI=1S/C8H10.ClH.H3N/c1-7-4-3-5-8(2)6-7;;/h3-6H,1-2H3;1H;1H3
InChIKeyZMEPRQXZPDROPQ-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.89
Rot. Bonds

About azane;1,3-xylene;hydrochloride

azane;1,3-xylene;hydrochloride (PubChem CID 175000695) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is azane;1,3-xylene;hydrochloride.

Molecular Properties

Compound Nameazane;1,3-xylene;hydrochloride
PubChem CID175000695
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Nameazane;1,3-xylene;hydrochloride
SMILESCc1cccc(C)c1.Cl.N
InChIInChI=1S/C8H10.ClH.H3N/c1-7-4-3-5-8(2)6-7;;/h3-6H,1-2H3;1H;1H3
InChIKeyZMEPRQXZPDROPQ-UHFFFAOYSA-N
XLogP2.89
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1,3-xylene;hydrochloride?
The IUPAC name of azane;1,3-xylene;hydrochloride (CID 175000695) is azane;1,3-xylene;hydrochloride.
What is the SMILES notation for azane;1,3-xylene;hydrochloride?
The canonical SMILES for azane;1,3-xylene;hydrochloride is Cc1cccc(C)c1.Cl.N.
What is the InChIKey of azane;1,3-xylene;hydrochloride?
The InChIKey is ZMEPRQXZPDROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.ClH.H3N/c1-7-4-3-5-8(2)6-7;;/h3-6H,1-2H3;1H;1H3.
What are the key properties of azane;1,3-xylene;hydrochloride?
azane;1,3-xylene;hydrochloride has a molecular weight of 159.66 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-xylene;hydrochloride is sourced from PubChem (CID 175000695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).