tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride

C8H12ClN — CID 54611381

IUPACtricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride
SMILESCl.NC1C2C3C=CC(C3)C12
InChIInChI=1S/C8H11N.ClH/c9-8-6-4-1-2-5(3-4)7(6)8;/h1-2,4-8H,3,9H2;1H
InChIKeyXSFJSNJYAVVKTQ-UHFFFAOYSA-N
MW157.64 g/mol
LogP1.19
Rot. Bonds

About tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride

tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride (PubChem CID 54611381) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride.

Molecular Properties

Compound Nametricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride
PubChem CID54611381
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Nametricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride
SMILESCl.NC1C2C3C=CC(C3)C12
InChIInChI=1S/C8H11N.ClH/c9-8-6-4-1-2-5(3-4)7(6)8;/h1-2,4-8H,3,9H2;1H
InChIKeyXSFJSNJYAVVKTQ-UHFFFAOYSA-N
XLogP1.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
trimethyl-[(1S,2S,3R,4R,5R,6R)-4-trimethylsilyl-3-tricyclo[4.2.1.02,5]non-7-enyl]silane
CID 101474513
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
15,16-diazahexacyclo[6.6.2.23,6.110,13.02,7.09,14]nonadeca-4,11,15-triene
CID 11837592
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 124560087

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride?
The IUPAC name of tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride (CID 54611381) is tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride.
What is the SMILES notation for tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride?
The canonical SMILES for tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride is Cl.NC1C2C3C=CC(C3)C12.
What is the InChIKey of tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride?
The InChIKey is XSFJSNJYAVVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c9-8-6-4-1-2-5(3-4)7(6)8;/h1-2,4-8H,3,9H2;1H.
What are the key properties of tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride?
tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride has a molecular weight of 157.64 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride is sourced from PubChem (CID 54611381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).