(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride

C10H14ClN — CID 167717873

IUPAC(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
SMILESCC1(CN)Cc2ccccc21.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(7-11)6-8-4-2-3-5-9(8)10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyHQHHNJWOYTXDMX-UHFFFAOYSA-N
MW183.68 g/mol
LogP1.88
Rot. Bonds1

About (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride

(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride (PubChem CID 167717873) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
PubChem CID167717873
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
SMILESCC1(CN)Cc2ccccc21.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(7-11)6-8-4-2-3-5-9(8)10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyHQHHNJWOYTXDMX-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride?
The IUPAC name of (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride (CID 167717873) is (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride.
What is the SMILES notation for (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride?
The canonical SMILES for (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride is CC1(CN)Cc2ccccc21.Cl.
What is the InChIKey of (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride?
The InChIKey is HQHHNJWOYTXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-10(7-11)6-8-4-2-3-5-9(8)10;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride?
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride is sourced from PubChem (CID 167717873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).