(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride

C10H18ClN — CID 160815460

IUPAC(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride
SMILESCC12C=CC(CN)(CC1)CC2.Cl
InChIInChI=1S/C10H17N.ClH/c1-9-2-5-10(8-11,6-3-9)7-4-9;/h2,5H,3-4,6-8,11H2,1H3;1H
InChIKeySEVONEQVDFTJJM-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.50
Rot. Bonds1

About (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride

(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride (PubChem CID 160815460) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride
PubChem CID160815460
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride
SMILESCC12C=CC(CN)(CC1)CC2.Cl
InChIInChI=1S/C10H17N.ClH/c1-9-2-5-10(8-11,6-3-9)7-4-9;/h2,5H,3-4,6-8,11H2,1H3;1H
InChIKeySEVONEQVDFTJJM-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride?
The IUPAC name of (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride (CID 160815460) is (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride.
What is the SMILES notation for (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride?
The canonical SMILES for (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride is CC12C=CC(CN)(CC1)CC2.Cl.
What is the InChIKey of (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride?
The InChIKey is SEVONEQVDFTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-9-2-5-10(8-11,6-3-9)7-4-9;/h2,5H,3-4,6-8,11H2,1H3;1H.
What are the key properties of (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride?
(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride is sourced from PubChem (CID 160815460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).